N-benzyl-2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide

• ChemBase ID: 229346
• Molecular Formular: C18H14Cl2N2OS
• Molecular Mass: 377.28756
• Monoisotopic Mass: 376.02038944
• SMILES: c1(nc(cs1)c1ccc(cc1)Cl)N(C(=O)CCl)Cc1ccccc1
• Canonical SMILES: ClCC(=O)N(c1scc(n1)c1ccc(cc1)Cl)Cc1ccccc1
• InChI: InChI=1S/C18H14Cl2N2OS/c19-10-17(23)22(11-13-4-2-1-3-5-13)18-21-16(12-24-18)14-6-8-15(20)9-7-14/h1-9,12H,10-11H2
• InChIKey: YASLXSUMPZREQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
• IUPAC Traditional name: N-benzyl-2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
• Synonyms: N-Benzyl-2-chloro-N-[4-(4-chloro-phenyl)-thiazol-2-yl]-acetamide

Database IDs

• MDL Number: MFCD03478332
• PubChem SID: 164285256
• PubChem CID: 3150709

CALCULATED PROPERTIES

• Acid pKa: 16.433844
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3170023
• LogD (pH = 7.4): 5.3170023
• Log P: 5.3170023
• Molar Refractivity: 97.6534 cm^3
• Polarizability: 39.059643 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.133

Product Information

• Purity: 95%