6-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 642918
• Molecular Formular: C15H11F4N3O2S
• Molecular Mass: 373.3253528
• Monoisotopic Mass: 373.05081049
• SMILES: n12c(nc(c2)c2cc(c(cc2)OC)F)scc1C(=O)NCC(F)(F)F
• Canonical SMILES: COc1ccc(cc1F)c1cn2c(n1)scc2C(=O)NCC(F)(F)F
• InChI: InChI=1S/C15H11F4N3O2S/c1-24-12-3-2-8(4-9(12)16)10-5-22-11(6-25-14(22)21-10)13(23)20-7-15(17,18)19/h2-6H,7H2,1H3,(H,20,23)
• InChIKey: IBFHLYYVMQCZPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.8905945
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7591639
• LogD (pH = 7.4): 2.7607505
• Log P: 2.7607708
• Molar Refractivity: 94.2589 cm^3
• Polarizability: 31.138506 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.95
• LOG S: -5.78
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3