N-[2-(oxolan-3-yl)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 434319
• Molecular Formular: C19H18F3N3O2S
• Molecular Mass: 409.4253296
• Monoisotopic Mass: 409.10718249
• SMILES: n12c(nc(c2)c2ccc(C(F)(F)F)cc2)scc1C(=O)NCCC1COCC1
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccc(cc1)C(F)(F)F)NCCC1COCC1
• InChI: InChI=1S/C19H18F3N3O2S/c20-19(21,22)14-3-1-13(2-4-14)15-9-25-16(11-28-18(25)24-15)17(26)23-7-5-12-6-8-27-10-12/h1-4,9,11-12H,5-8,10H2,(H,23,26)
• InChIKey: WBIZSYJVKZSOLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(oxolan-3-yl)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-[2-(oxolan-3-yl)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-[2-(tetrahydrofuran-3-yl)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.0156555
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.118644
• LogD (pH = 7.4): 3.1202586
• Log P: 3.1202793
• Molar Refractivity: 111.3964 cm^3
• Polarizability: 37.871952 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: 3.94
• LOG S: -5.55
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5