N-[2-(3-fluorophenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 457061
• Molecular Formular: C20H16FN3OS
• Molecular Mass: 365.4239432
• Monoisotopic Mass: 365.09981137
• SMILES: n12c(nc(c2)c2ccccc2)scc1C(=O)NCCc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CCNC(=O)c1csc2n1cc(n2)c1ccccc1
• InChI: InChI=1S/C20H16FN3OS/c21-16-8-4-5-14(11-16)9-10-22-19(25)18-13-26-20-23-17(12-24(18)20)15-6-2-1-3-7-15/h1-8,11-13H,9-10H2,(H,22,25)
• InChIKey: QMRHAHDMVQZZTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.011586
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9748483
• LogD (pH = 7.4): 3.9764595
• Log P: 3.9764802
• Molar Refractivity: 111.7132 cm^3
• Polarizability: 38.688866 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.87
• LOG S: -6.77
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5