N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-propyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 747819
• Molecular Formular: C11H13N5OS
• Molecular Mass: 263.31882
• Monoisotopic Mass: 263.08408106
• SMILES: c12nc(cn1ccs2)CNc1oc(nn1)CCC
• Canonical SMILES: CCCc1nnc(o1)NCc1cn2c(n1)scc2
• InChI: InChI=1S/C11H13N5OS/c1-2-3-9-14-15-10(17-9)12-6-8-7-16-4-5-18-11(16)13-8/h4-5,7H,2-3,6H2,1H3,(H,12,15)
• InChIKey: XRKWOVNPLJOADT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.790509
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.995892
• LogD (pH = 7.4): 1.0040076
• Log P: 1.0058328
• Molar Refractivity: 81.8641 cm^3
• Polarizability: 25.194265 Å^3
• Polar Surface Area: 68.25 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: 2.49
• LOG S: -3.25
• Polar Surface Area: 68.25 Å^2
• Rotatable Bonds: 5