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

• ChemBase ID: 412769
• Molecular Formular: C20H23FN4OS
• Molecular Mass: 386.4862232
• Monoisotopic Mass: 386.1576606
• SMILES: c12nc(CC(=O)N(C3CN(Cc4c(F)cccc4)CCC3)C)cn1ccs2
• Canonical SMILES: O=C(N(C1CCCN(C1)Cc1ccccc1F)C)Cc1cn2c(n1)scc2
• InChI: InChI=1S/C20H23FN4OS/c1-23(19(26)11-16-13-25-9-10-27-20(25)22-16)17-6-4-8-24(14-17)12-15-5-2-3-7-18(15)21/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14H2,1H3
• InChIKey: KNPFEAIORFGVSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.88696194
• LogD (pH = 7.4): 2.4986935
• Log P: 2.808643
• Molar Refractivity: 116.1229 cm^3
• Polarizability: 39.819912 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.92
• LOG S: -3.26
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5