N-cyclobutyl-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 664430
• Molecular Formular: C17H14F3N3OS
• Molecular Mass: 365.3727696
• Monoisotopic Mass: 365.08096774
• SMILES: n12c(C(=O)NC3CCC3)csc1nc(c2)c1cc(C(F)(F)F)ccc1
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1cccc(c1)C(F)(F)F)NC1CCC1
• InChI: InChI=1S/C17H14F3N3OS/c18-17(19,20)11-4-1-3-10(7-11)13-8-23-14(9-25-16(23)22-13)15(24)21-12-5-2-6-12/h1,3-4,7-9,12H,2,5-6H2,(H,21,24)
• InChIKey: ZMCINCPAQITOIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.125707
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.607005
• LogD (pH = 7.4): 3.6086051
• Log P: 3.6086257
• Molar Refractivity: 99.9151 cm^3
• Polarizability: 33.48058 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.42
• LOG S: -6.64
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 3