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

• ChemBase ID: 691152
• Molecular Formular: C16H24N4OS
• Molecular Mass: 320.45296
• Monoisotopic Mass: 320.16708241
• SMILES: c12nc(cn1ccs2)C(NC(=O)C1CCN(CC1)C(C)C)C
• Canonical SMILES: CC(c1nc2n(c1)ccs2)NC(=O)C1CCN(CC1)C(C)C
• InChI: InChI=1S/C16H24N4OS/c1-11(2)19-6-4-13(5-7-19)15(21)17-12(3)14-10-20-8-9-22-16(20)18-14/h8-13H,4-7H2,1-3H3,(H,17,21)
• InChIKey: MJZLYZLMHNYNPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-1-(propan-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-1-isopropylpiperidine-4-carboxamide
• Synonyms: N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-isopropylpiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.6424055
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7348815
• LogD (pH = 7.4): -0.40990788
• Log P: 1.6481107
• Molar Refractivity: 100.295 cm^3
• Polarizability: 34.239807 Å^3
• Polar Surface Area: 49.64 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: 0.98
• LOG S: -2.37
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4