N-[(1-{6-methylimidazo[2,1-b][1,3]thiazole-3-carbonyl}piperidin-3-yl)methyl]-1-phenylmethanesulfonamide

• ChemBase ID: 468173
• Molecular Formular: C20H24N4O3S2
• Molecular Mass: 432.55956
• Monoisotopic Mass: 432.12898265
• SMILES: c1(n2c(nc(c2)C)sc1)C(=O)N1CC(CNS(=O)(=O)Cc2ccccc2)CCC1
• Canonical SMILES: Cc1cn2c(n1)scc2C(=O)N1CCCC(C1)CNS(=O)(=O)Cc1ccccc1
• InChI: InChI=1S/C20H24N4O3S2/c1-15-11-24-18(13-28-20(24)22-15)19(25)23-9-5-8-17(12-23)10-21-29(26,27)14-16-6-3-2-4-7-16/h2-4,6-7,11,13,17,21H,5,8-10,12,14H2,1H3
• InChIKey: FEOGHRKPRLEPBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-{6-methylimidazo[2,1-b][1,3]thiazole-3-carbonyl}piperidin-3-yl)methyl]-1-phenylmethanesulfonamide
• IUPAC Traditional name: N-[(1-{6-methylimidazo[2,1-b][1,3]thiazole-3-carbonyl}piperidin-3-yl)methyl]-1-phenylmethanesulfonamide
• Synonyms: N-({1-[(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)carbonyl]-3-piperidinyl}methyl)-1-phenylmethanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.609785
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.034389
• LogD (pH = 7.4): 1.0461056
• Log P: 1.0464975
• Molar Refractivity: 124.7354 cm^3
• Polarizability: 43.703617 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.44
• LOG S: -5.37
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 5