Tnik-IN-1 - ≥98% , CAS No.933886-36-3

CAS: 933886-36-3 Cat. No.: T1266874 Peso molecular: 395.4

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(N=C(S2)NC3=CC=CC=C3)C(=O)N
• IUPAC Name: 5-[(4-acetamidobenzoyl)amino]-2-anilino-1,3-thiazole-4-carboxamide
• InChIKey: OOYMGIRITPQNDA-UHFFFAOYSA-N
• INCHI: 1S/C19H17N5O3S/c1-11(25)21-14-9-7-12(8-10-14)17(27)24-18-15(16(20)26)23-19(28-18)22-13-5-3-2-4-6-13/h2-10H,1H3,(H2,20,26)(H,21,25)(H,22,23)(H,24,27)
• Peso molecular: 395.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Acetanilides N-acetylarylamines Benzamides Thiazolecarboxamides 2,4,5-trisubstituted thiazoles 2-heteroaryl carboxamides Aniline and substituted anilines Benzoyl derivatives 2-amino-1,3-thiazoles Vinylogous amides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Acetanilide - N-acetylarylamine - Benzamide - Anilide - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - N-arylamide - Aniline or substituted anilines - 1,3-thiazol-2-amine - Acetamide - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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

Propiedades químicas y físicas

• Peso molecular: 395.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 395.105 Da
• Monoisotopic Mass: 395.105 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 576.000
• 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