N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 560404
• Molecular Formular: C16H16N6OS
• Molecular Mass: 340.40284
• Monoisotopic Mass: 340.11063016
• SMILES: n1c(onc1C(C)C)c1cnc(NCc2nc3n(c2)ccs3)cc1
• Canonical SMILES: CC(c1noc(n1)c1ccc(nc1)NCc1cn2c(n1)scc2)C
• InChI: InChI=1S/C16H16N6OS/c1-10(2)14-20-15(23-21-14)11-3-4-13(17-7-11)18-8-12-9-22-5-6-24-16(22)19-12/h3-7,9-10H,8H2,1-2H3,(H,17,18)
• InChIKey: QAPDRCZLVAEKQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
• Synonyms: N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(3-isopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.2531
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.1645956
• LogD (pH = 7.4): 3.2823677
• Log P: 3.2840738
• Molar Refractivity: 115.4967 cm^3
• Polarizability: 34.51078 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.45
• LOG S: -5.4
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4