N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide - ≥95% , CAS No.302964-08-5

CAS: 302964-08-5 Cat. No.: N183541 Molecular Weight: 394.3 EC Number: 695-686-7

GRADE & PURITY ≥95%

Synonyms

2-[(6-Chloro-2-methyl-4-pyrimidyl)amino]-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide | 2-[(6-Chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide | AS-13682 | AKOS015888619 | MFCD11045075 | Q-101347 | 2-(6-Chloro-2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-[(6-Chloro-2-methyl-4-pyrimidyl)amino]-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide | 2-[(6-Chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide | AS-13682 | AKOS015888619 | MFCD11045075 | Q-101347 | 2-(6-Chloro-2-

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766229
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766229
• Canonical Smiles: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)Cl
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
• InChIKey: LMXUWARKUIELGT-UHFFFAOYSA-N
• INCHI: 1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22)
• Isomeric SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)Cl
• Alternate CAS: 302964-08-5
• Molecular Weight: 394.3
• Reaxy-Rn: 9869700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9869700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Thiazolecarboxamides 2-heteroaryl carboxamides Toluenes 2,5-disubstituted thiazoles Aminopyrimidines and derivatives Chlorobenzenes Halopyrimidines 2-amino-1,3-thiazoles Aryl chlorides Imidolactams Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,5-disubstituted 1,3-thiazole - Aminopyrimidine - Halopyrimidine - Halobenzene - Toluene - Chlorobenzene - Pyrimidine - Aryl chloride - Aryl halide - Imidolactam - 1,3-thiazol-2-amine - Thiazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: heat & air sensitive
• Melt Point(°C): 280 °C
• Molecular Weight: 394.300 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 393.022 Da
• Monoisotopic Mass: 393.022 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 474.000
• 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