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

• ChemBase ID: 233752
• Molecular Formular: C19H17ClN2OS
• Molecular Mass: 356.86908
• Monoisotopic Mass: 356.07501185
• SMILES: c1(nc(cs1)c1ccc(cc1)C)N(c1cc(ccc1)C)C(=O)CCl
• Canonical SMILES: ClCC(=O)N(c1scc(n1)c1ccc(cc1)C)c1cccc(c1)C
• InChI: InChI=1S/C19H17ClN2OS/c1-13-6-8-15(9-7-13)17-12-24-19(21-17)22(18(23)11-20)16-5-3-4-14(2)10-16/h3-10,12H,11H2,1-2H3
• InChIKey: BEMJCFLRWSRJOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD04621660
• PubChem SID: 164289662
• PubChem CID: 2393943

CALCULATED PROPERTIES

• LogD (pH = 5.5): 5.6732855
• LogD (pH = 7.4): 5.673286
• Log P: 5.673286
• Molar Refractivity: 98.096 cm^3
• Polarizability: 38.861633 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• Acid pKa: 15.180244
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.584

Product Information

• Purity: 95%