N-[bis(4-methylphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide

• ChemBase ID: 229345
• Molecular Formular: C19H17ClN2OS
• Molecular Mass: 356.86908
• Monoisotopic Mass: 356.07501185
• SMILES: c1(nc(c(s1)c1ccc(cc1)C)c1ccc(cc1)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1sc(c(n1)c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C19H17ClN2OS/c1-12-3-7-14(8-4-12)17-18(15-9-5-13(2)6-10-15)24-19(22-17)21-16(23)11-20/h3-10H,11H2,1-2H3,(H,21,22,23)
• InChIKey: SLSYUZOHVBOZMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[bis(4-methylphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
• IUPAC Traditional name: N-[bis(4-methylphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
• Synonyms: 2-Chloro-N-(4,5-di-p-tolyl-thiazol-2-yl)-acetamide

Database IDs

• MDL Number: MFCD03964195
• PubChem SID: 164285255
• PubChem CID: 3763861

CALCULATED PROPERTIES

• Acid pKa: 10.626457
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.7951894
• LogD (pH = 7.4): 5.7949476
• Log P: 5.7951927
• Molar Refractivity: 100.1228 cm^3
• Polarizability: 40.255116 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.604

Product Information

• Purity: 95%