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

• ChemBase ID: 26858
• Molecular Formular: C11H8Cl2N2OS
• Molecular Mass: 287.16502
• Monoisotopic Mass: 285.97343925
• SMILES: c1(nc(cs1)c1ccc(cc1)Cl)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1scc(n1)c1ccc(cc1)Cl
• InChI: InChI=1S/C11H8Cl2N2OS/c12-5-10(16)15-11-14-9(6-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,14,15,16)
• InChIKey: VZQNWGOICMITDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
• Synonyms: N1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-chloroacetamide; 2-Chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-acetamide

Database IDs

• MDL Number: MFCD00124551
• PubChem SID: 160990165
• PubChem CID: 736951

CALCULATED PROPERTIES

• Acid pKa: 10.591818
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7284596
• LogD (pH = 7.4): 3.7281978
• Log P: 3.7284632
• Molar Refractivity: 69.9249 cm^3
• Polarizability: 27.672577 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false