2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbohydrazide

• ChemBase ID: 86516
• Molecular Formular: C10H7Cl2N3OS
• Molecular Mass: 288.15308
• Monoisotopic Mass: 286.96868822
• SMILES: n1c(c2c(c(ccc2)Cl)Cl)scc1C(=O)NN
• Canonical SMILES: NNC(=O)c1csc(n1)c1cccc(c1Cl)Cl
• InChI: InChI=1S/C10H7Cl2N3OS/c11-6-3-1-2-5(8(6)12)10-14-7(4-17-10)9(16)15-13/h1-4H,13H2,(H,15,16)
• InChIKey: DLCGCERSLQTRHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbohydrazide
• IUPAC Traditional name: 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbohydrazide
• Synonyms: 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbohydrazide

Database IDs

• CAS Number: 175276-87-6
• MDL Number: MFCD00277206
• PubChem SID: 162073632
• PubChem CID: 2743901

CALCULATED PROPERTIES

• Acid pKa: 14.223595
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8044016
• LogD (pH = 7.4): 2.8049066
• Log P: 2.804913
• Molar Refractivity: 79.1681 cm^3
• Polarizability: 26.543776 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true