4-(4-Chlorophenyl)-N-(4-ethoxyphenyl)thiazol-2-amine , CAS No.328127-95-3

CAS: 328127-95-3 Cat. No.: C990733 Peso molecular: 330.800

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)Cl
• IUPAC Name: 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
• InChIKey: CSOGGODNKMDYLK-UHFFFAOYSA-N
• INCHI: 1S/C17H15ClN2OS/c1-2-21-15-9-7-14(8-10-15)19-17-20-16(11-22-17)12-3-5-13(18)6-4-12/h3-11H,2H2,1H3,(H,19,20)
• Peso molecular: 330.800

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Chlorobenzenes Alkyl aryl ethers 2,4-disubstituted thiazoles Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Aniline or substituted anilines - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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: 330.800 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 330.059 Da
• Monoisotopic Mass: 330.059 Da
• Topological Polar Surface Area: 62.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 331.000
• 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