N-[4-(3-Aminophenyl)-2-thiazolyl]acetamide - ≥95% , CAS No.134812-30-9

CAS: 134812-30-9 Cat. No.: N709895 Molecular Weight: 233.29

GRADE & PURITY ≥95%

Synonyms

N-(4-(3-aminophenyl)thiazol-2-yl)acetamide | N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

N-(4-(3-aminophenyl)thiazol-2-yl)acetamide | N-[4-(3-aminophenyl)-1, 3-thiazol-2-yl]acetamide

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)N
• IUPAC Name: N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide
• InChIKey: UTECODUDYGFNTJ-UHFFFAOYSA-N
• INCHI: 1S/C11H11N3OS/c1-7(15)13-11-14-10(6-16-11)8-3-2-4-9(12)5-8/h2-6H,12H2,1H3,(H,13,14,15)
• Isomeric SMILES: CC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)N
• Molecular Weight: 233.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acetylarylamines
• Alternative Parents: Aniline and substituted anilines 2,4-disubstituted thiazoles Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acetylarylamine - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Acetamide - Thiazole - Azole - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Primary amine - Amine - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an 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: Light sensitive
• Molecular Weight: 233.290 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 233.062 Da
• Monoisotopic Mass: 233.062 Da
• Topological Polar Surface Area: 96.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 262.000
• 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