5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine - ≥97% , CAS No.17899-48-8

CAS: 17899-48-8 Cat. No.: M341406 Molecular Weight: 169.25 EC Number: 845-646-1

GRADE & PURITY ≥97%

Synonyms

Thiazolo[5,4-c]pyridin-2-amine, 4,5,6,7-tetrahydro-5-methyl- | FT-0702220 | STL203986 | J-517789 | F3284-8052 | 5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine, AldrichCPR | BB 0261587 | 5-Methyl-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Thiazolo[5, 4-c]pyridin-2-amine, 4, 5, 6, 7-tetrahydro-5-methyl- | FT-0702220 | STL203986 | J-517789 | F3284-8052 | 5-methyl-4, 5, 6, 7-tetrahydro[1, 3]thiazolo[5, 4-c]pyridin-2-amine, AldrichCPR | BB 0261587 | 5-Methyl-4, 5, 6, 7-tetrahydro-thiazolo[5, 4-c]pyridin-2-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN1CCC2=C(C1)SC(=N2)N
• IUPAC Name: 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• InChIKey: SAFPFEWXCCYGOX-UHFFFAOYSA-N
• INCHI: 1S/C7H11N3S/c1-10-3-2-5-6(4-10)11-7(8)9-5/h2-4H2,1H3,(H2,8,9)
• Isomeric SMILES: CN1CCC2=C(C1)SC(=N2)N
• Molecular Weight: 169.25
• Reaxy-Rn: 512640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=512640&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: 2-amino-1,3-thiazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aralkylamine - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SPSB2 Tbio SPRY domain-containing SOCS box protein 2 (22 Activities)

Discover Target: SPSB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 169.250 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 169.067 Da
• Monoisotopic Mass: 169.067 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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