N-[2,6-bis(propan-2-yl)phenyl]-2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

• ChemBase ID: 233688
• Molecular Formular: C24H27ClN2OS
• Molecular Mass: 427.00198
• Monoisotopic Mass: 426.15326217
• SMILES: c1(N(c2c(C(C)C)cccc2C(C)C)C(=O)CCl)nc(cs1)c1ccc(cc1)C
• Canonical SMILES: ClCC(=O)N(c1c(cccc1C(C)C)C(C)C)c1scc(n1)c1ccc(cc1)C
• InChI: InChI=1S/C24H27ClN2OS/c1-15(2)19-7-6-8-20(16(3)4)23(19)27(22(28)13-25)24-26-21(14-29-24)18-11-9-17(5)10-12-18/h6-12,14-16H,13H2,1-5H3
• InChIKey: RBZKFYYFRHXFGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2,6-bis(propan-2-yl)phenyl]-2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
• IUPAC Traditional name: 2-chloro-N-(2,6-diisopropylphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
• Synonyms: 2-Chloro-N-(2,6-diisopropyl-phenyl)-N-(4-p-tolyl-thiazol-2-yl)-acetamide

Database IDs

• MDL Number: MFCD04620385
• PubChem SID: 164289598
• PubChem CID: 2492383

CALCULATED PROPERTIES

• Acid pKa: 15.175394
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.649883
• LogD (pH = 7.4): 7.649883
• Log P: 7.649883
• Molar Refractivity: 121.4364 cm^3
• Polarizability: 47.99861 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.139

Product Information

• Purity: 95%