6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

• ChemBase ID: 702007
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: c1(n2c(nc1C)scc2)C(=O)NC1CN(CCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1c(C)nc2n1ccs2)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C20H24N4OS/c1-15-18(24-12-13-26-20(24)21-15)19(25)22-17-8-5-10-23(14-17)11-9-16-6-3-2-4-7-16/h2-4,6-7,12-13,17H,5,8-11,14H2,1H3,(H,22,25)
• InChIKey: LOCLWYWHXUVOLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• IUPAC Traditional name: 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• Synonyms: 6-methyl-N-[1-(2-phenylethyl)-3-piperidinyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.863614
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.21540716
• LogD (pH = 7.4): 1.5592506
• Log P: 2.4162817
• Molar Refractivity: 116.5544 cm^3
• Polarizability: 39.784035 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.86
• LOG S: -4.46
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5