2-(1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperidin-4-yl)-1,3-benzoxazole

• ChemBase ID: 451784
• Molecular Formular: C18H16N4O2S
• Molecular Mass: 352.41024
• Monoisotopic Mass: 352.09939677
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CCC(c2nc3c(o2)cccc3)CC1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)N1CCC(CC1)c1nc2c(o1)cccc2
• InChI: InChI=1S/C18H16N4O2S/c23-17(14-11-22-9-10-25-18(22)20-14)21-7-5-12(6-8-21)16-19-13-3-1-2-4-15(13)24-16/h1-4,9-12H,5-8H2
• InChIKey: PMUIPKIPIWDGHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperidin-4-yl)-1,3-benzoxazole
• IUPAC Traditional name: 2-(1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperidin-4-yl)-1,3-benzoxazole
• Synonyms: 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylcarbonyl)-4-piperidinyl]-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2164478
• LogD (pH = 7.4): 2.2164795
• Log P: 2.21648
• Molar Refractivity: 104.9142 cm^3
• Polarizability: 36.3966 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.01
• LOG S: -5.45
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 2