(Z)-N-(3,4-diphenylthiazol-2(3H)-ylidene)furan-2-carboxamide , CAS No.313398-62-8

CAS: 313398-62-8 Cat. No.: Z1254541 Peso molecular: 346.4

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=CSC(=NC(=O)C3=CC=CO3)N2C4=CC=CC=C4
• IUPAC Name: N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
• InChIKey: BXUWKCDVRSUCRR-UHFFFAOYSA-N
• INCHI: 1S/C20H14N2O2S/c23-19(18-12-7-13-24-18)21-20-22(16-10-5-2-6-11-16)17(14-25-20)15-8-3-1-4-9-15/h1-14H
• Peso molecular: 346.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acid and derivatives
• Alternative Parents: Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Isothioureas Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Isothiourea - Azacycle - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furoic acid and derivatives. These are aromatic heterocyclic compounds containing a furan ring, which carries a carboxyl group or a derivative thereof.
• 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: 346.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 346.078 Da
• Monoisotopic Mass: 346.078 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 548.000
• 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