1-(furan-2-ylmethyl)-N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)piperidine-3-carboxamide

• ChemBase ID: 771119
• Molecular Formular: C18H22N4O2S
• Molecular Mass: 358.45788
• Monoisotopic Mass: 358.14634696
• SMILES: c12n(cc(n1)CCNC(=O)C1CN(Cc3occc3)CCC1)ccs2
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)NCCc1cn2c(n1)scc2
• InChI: InChI=1S/C18H22N4O2S/c23-17(19-6-5-15-12-22-8-10-25-18(22)20-15)14-3-1-7-21(11-14)13-16-4-2-9-24-16/h2,4,8-10,12,14H,1,3,5-7,11,13H2,(H,19,23)
• InChIKey: RILHZUKYLGQDHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)piperidine-3-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.042384
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4808439
• LogD (pH = 7.4): 0.27217868
• Log P: 1.4836035
• Molar Refractivity: 108.1826 cm^3
• Polarizability: 37.034645 Å^3
• Polar Surface Area: 62.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.47
• LOG S: -3.92
• Polar Surface Area: 62.78 Å^2
• Rotatable Bonds: 6