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

• ChemBase ID: 680003
• Molecular Formular: C21H26N4OS
• Molecular Mass: 382.52234
• Monoisotopic Mass: 382.18273247
• SMILES: c12nc(CC(=O)N(C3CN(CCc4ccccc4)CCC3)C)cn1ccs2
• Canonical SMILES: O=C(N(C1CCCN(C1)CCc1ccccc1)C)Cc1cn2c(n1)scc2
• InChI: InChI=1S/C21H26N4OS/c1-23(20(26)14-18-15-25-12-13-27-21(25)22-18)19-8-5-10-24(16-19)11-9-17-6-3-2-4-7-17/h2-4,6-7,12-13,15,19H,5,8-11,14,16H2,1H3
• InChIKey: MJIXFODSTLSATL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.0048713516
• LogD (pH = 7.4): 1.7373823
• Log P: 2.9546022
• Molar Refractivity: 120.6615 cm^3
• Polarizability: 41.90537 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.01
• LOG S: -3.67
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6