1-{6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carbonyl}piperidine

• ChemBase ID: 728807
• Molecular Formular: C18H16F3N3OS
• Molecular Mass: 379.3993496
• Monoisotopic Mass: 379.09661781
• SMILES: n12c(C(=O)N3CCCCC3)csc1nc(c2)c1cc(C(F)(F)F)ccc1
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1cccc(c1)C(F)(F)F)N1CCCCC1
• InChI: InChI=1S/C18H16F3N3OS/c19-18(20,21)13-6-4-5-12(9-13)14-10-24-15(11-26-17(24)22-14)16(25)23-7-2-1-3-8-23/h4-6,9-11H,1-3,7-8H2
• InChIKey: GBOMWDMQKHFDPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carbonyl}piperidine
• IUPAC Traditional name: 1-{6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carbonyl}piperidine
• Synonyms: 3-(1-piperidinylcarbonyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 3.7709432
• LogD (pH = 7.4): 3.7725146
• Log P: 3.7725346
• Molar Refractivity: 105.1416 cm^3
• Polarizability: 35.301308 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2

供应商提供(Chembridge)

• H Donor: 0
• Log P: 3.84
• LOG S: -6.22
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3