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 Peso molecular: 394.3 Número EC: 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

Sinónimos

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-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504766229
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766229
• Sonrisas canónicas: 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)
• Isómeros SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)Cl
• CAS alternativo: 302964-08-5
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: heat & air sensitive
• Punto de fusión (°C): 280 °C
• Peso molecular: 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