6-(3-fluorophenyl)-N-(2-methoxybutyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 788838
• Molecular Formular: C17H18FN3O2S
• Molecular Mass: 347.4071232
• Monoisotopic Mass: 347.11037605
• SMILES: n12c(nc(c2)c2cc(F)ccc2)scc1C(=O)NCC(OC)CC
• Canonical SMILES: CCC(CNC(=O)c1csc2n1cc(n2)c1cccc(c1)F)OC
• InChI: InChI=1S/C17H18FN3O2S/c1-3-13(23-2)8-19-16(22)15-10-24-17-20-14(9-21(15)17)11-5-4-6-12(18)7-11/h4-7,9-10,13H,3,8H2,1-2H3,(H,19,22)
• InChIKey: SCDCNAMHCNZAQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-fluorophenyl)-N-(2-methoxybutyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(3-fluorophenyl)-N-(2-methoxybutyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(3-fluorophenyl)-N-(2-methoxybutyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.97432
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.853868
• LogD (pH = 7.4): 2.8554475
• Log P: 2.8554678
• Molar Refractivity: 102.3319 cm^3
• Polarizability: 35.347107 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.65
• LOG S: -4.85
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6