4-(4-fluorophenoxy)-1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)piperidine

• ChemBase ID: 468079
• Molecular Formular: C18H20FN3OS
• Molecular Mass: 345.4343032
• Monoisotopic Mass: 345.1311115
• SMILES: c12n(cc(n1)CCN1CCC(Oc3ccc(F)cc3)CC1)ccs2
• Canonical SMILES: Fc1ccc(cc1)OC1CCN(CC1)CCc1cn2c(n1)scc2
• InChI: InChI=1S/C18H20FN3OS/c19-14-1-3-16(4-2-14)23-17-6-9-21(10-7-17)8-5-15-13-22-11-12-24-18(22)20-15/h1-4,11-13,17H,5-10H2
• InChIKey: FSODEUNIKKVZAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenoxy)-1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)piperidine
• IUPAC Traditional name: 4-(4-fluorophenoxy)-1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)piperidine
• Synonyms: 6-{2-[4-(4-fluorophenoxy)-1-piperidinyl]ethyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.40321758
• LogD (pH = 7.4): 2.1694593
• Log P: 2.8480453
• Molar Refractivity: 104.4329 cm^3
• Polarizability: 35.52901 Å^3
• Polar Surface Area: 29.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.15
• LOG S: -4.22
• Polar Surface Area: 29.77 Å^2
• Rotatable Bonds: 5