2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide

• ChemBase ID: 472118
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: c12nc(cn1ccs2)CC(=O)NC1CN(CCc2ccccc2)CCC1
• Canonical SMILES: O=C(Cc1cn2c(n1)scc2)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C20H24N4OS/c25-19(13-18-15-24-11-12-26-20(24)22-18)21-17-7-4-9-23(14-17)10-8-16-5-2-1-3-6-16/h1-3,5-6,11-12,15,17H,4,7-10,13-14H2,(H,21,25)
• InChIKey: GXSLDJBEWBAXJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
• Synonyms: 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[1-(2-phenylethyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.371373
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.08071211
• LogD (pH = 7.4): 1.6926954
• Log P: 2.7309263
• Molar Refractivity: 115.7648 cm^3
• Polarizability: 40.064518 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.62
• LOG S: -4.15
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6