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

• ChemBase ID: 757025
• Molecular Formular: C18H16F3N3OS
• Molecular Mass: 379.3993496
• Monoisotopic Mass: 379.09661781
• SMILES: n12c(C(=O)NC3CCCC3)csc1nc(c2)c1cc(C(F)(F)F)ccc1
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1cccc(c1)C(F)(F)F)NC1CCCC1
• InChI: InChI=1S/C18H16F3N3OS/c19-18(20,21)12-5-3-4-11(8-12)14-9-24-15(10-26-17(24)23-14)16(25)22-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H,22,25)
• InChIKey: CYZJEGHEMZITSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-cyclopentyl-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): 4.0515723
• LogD (pH = 7.4): 4.053174
• Log P: 4.053194
• Molar Refractivity: 104.5161 cm^3
• Polarizability: 35.301365 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: 4.98
• LOG S: -7.04
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 3