GRADE & PURITY ≥97%

Synonyms

N-(4-(2-Amnothazol-4-yl)phenyl)acetamde | BBL011750 | 4-(4-Acetamidophenyl)-2-aminothiazole | BB-0818 | SY012604 | DTXSID20334177 | STK802521 | HMS1677F08 | N-(4-(4-AMINO-3,5-THIAZOLYL)PHENYL)ETHANAMIDE | EN300-02473 | N-[4-(2-amino-1,3 -thiazol-4-yl)phen

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

N-(4-(2-Amnothazol-4-yl)phenyl)acetamde | BBL011750 | 4-(4-Acetamidophenyl)-2-aminothiazole | BB-0818 | SY012604 | DTXSID20334177 | STK802521 | HMS1677F08 | N-(4-(4-AMINO-3, 5-THIAZOLYL)PHENYL)ETHANAMIDE | EN300-02473 | N-[4-(2-amino-1, 3 -thiazol-4-yl)phen

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N
• IUPAC Name: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
• InChIKey: VBBNSESFUHRMJU-UHFFFAOYSA-N
• INCHI: 1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N
• WGK Germany: 3
• Molecular Weight: 233.29
• Reaxy-Rn: 204117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=204117&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: Acetanilides
• Alternative Parents: N-acetylarylamines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Azole - Thiazole - Acetamide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Primary amine - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl 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

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: 254.000
• 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