N-(furan-2-ylmethyl)-1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)piperidine-4-carboxamide

• ChemBase ID: 496823
• Molecular Formular: C18H20N4O3S
• Molecular Mass: 372.4414
• Monoisotopic Mass: 372.12561152
• SMILES: c12nc(CC(=O)N3CCC(C(=O)NCc4occc4)CC3)cn1ccs2
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)Cc1cn2c(n1)scc2)NCc1ccco1
• InChI: InChI=1S/C18H20N4O3S/c23-16(10-14-12-22-7-9-26-18(22)20-14)21-5-3-13(4-6-21)17(24)19-11-15-2-1-8-25-15/h1-2,7-9,12-13H,3-6,10-11H2,(H,19,24)
• InChIKey: HQXRCGRWRGQNKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)piperidine-4-carboxamide
• Synonyms: N-(2-furylmethyl)-1-(imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.437526
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.71829027
• LogD (pH = 7.4): 0.73164934
• Log P: 0.7318227
• Molar Refractivity: 108.1679 cm^3
• Polarizability: 36.77344 Å^3
• Polar Surface Area: 79.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.68
• LOG S: -3.35
• Polar Surface Area: 79.85 Å^2
• Rotatable Bonds: 5