GRADE & PURITY ≥98%(HPLC)

Synonyms

2-amino-6-methyl-1,3-benzothiazole | 6-Methyl-1,3-benzothiazol-2-amine | 6-methylbenzo[d]thiazol-2-amine | DTXSID0062501 | NSC 118944 | NSC118944 | NSC-118944 | SMR000137127 | 8372J8V89N | AKOS000104293 | W10175 | InChI=1/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)1

Storage

Room temperature

Shipped In

Normal

Overview

The anti-tetanus activity of 2-amino-6-methylbenzothiazole, a muscle relactant, was studied.

2-Amino-6-methylbenzothiazole was used in the preparation of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-[2-(substituted phenyl/furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]nicotinamides.

Specifications

Synonyms

2-amino-6-methyl-1, 3-benzothiazole | 6-Methyl-1, 3-benzothiazol-2-amine | 6-methylbenzo[d]thiazol-2-amine | DTXSID0062501 | NSC 118944 | NSC118944 | NSC-118944 | SMR000137127 | 8372J8V89N | AKOS000104293 | W10175 | InChI=1/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)1

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488182381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182381
• Canonical Smiles: CC1=CC2=C(C=C1)N=C(S2)N
• IUPAC Name: 6-methyl-1,3-benzothiazol-2-amine
• InChIKey: DZWTXWPRWRLHIL-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
• Isomeric SMILES: CC1=CC2=C(C=C1)N=C(S2)N
• WGK Germany: 3
• RTECS: DL2625000
• Molecular Weight: 164.23
• Reaxy-Rn: 122040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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DAO Tchem D-amino-acid oxidase (802 Activities)

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 140-142°C
• Molecular Weight: 164.230 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.041 Da
• Monoisotopic Mass: 164.041 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Feng Dou, Jian Han, Jihui Li, Huixin Zhang, Kang Qiao, Jiahui Kan, Jianxin Chen.  (2022)  Exploration of novel polyaspartic acid derivatives as fluorescent eco-friendly corrosion inhibitors for the carbon steel: Electrochemical, surface analysis (SEM/XPS) and theoretical calculation.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.130606]