4-(2,4-Dichlorophenyl)-5-methylthiazol-2-amine , CAS No.188120-61-8

CAS: 188120-61-8 Cat. No.: D168171 Formula: C₁₀H₈Cl₂N₂S Molecular Weight: 259.15 EC Number: 809-181-8

Synonyms

4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine|188120-61-8|4-(2,4-Dichlorophenyl)-5-methylthiazol-2-amine|MFCD02663881|4-(2,4-dichlorophenyl)-5-methylthiazol-2-ylamine|4-(2,4-Dichloro-phenyl)-5-methyl-thiazol-2-ylamine|Oprea1_421343|2-Thiazolamine, 4

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine | 188120-61-8 | 4-(2,4-Dichlorophenyl)-5-methylthiazol-2-amine | MFCD02663881 | 4-(2,4-dichlorophenyl)-5-methylthiazol-2-ylamine | 4-(2,4-Dichloro-phenyl)-5-methyl-thiazol-2-ylamine | Oprea1_421343 | 2-Thiazolamine, 4

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC1=C(N=C(S1)N)C2=C(C=C(C=C2)Cl)Cl
• IUPAC Name: 4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
• InChIKey: SUELLSJOIIXFPP-UHFFFAOYSA-N
• INCHI: 1S/C10H8Cl2N2S/c1-5-9(14-10(13)15-5)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H2,13,14)
• Isomeric SMILES: CC1=C(N=C(S1)N)C2=C(C=C(C=C2)Cl)Cl
• Molecular Weight: 259.15
• Reaxy-Rn: 8262348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8262348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Dichlorobenzenes Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Primary amine - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 259.149 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 257.979 Da
• Monoisotopic Mass: 257.979 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 229.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 188120-61-8, the molecular formula is C10H8Cl2N2S, and the molecular weight is 259.15 g/mol. InChIKey SUELLSJOIIXFPP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.