5-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-3-(oxolan-3-yl)-1,2,4-oxadiazole

• ChemBase ID: 384564
• Molecular Formular: C12H12N4O2S
• Molecular Mass: 276.31428
• Monoisotopic Mass: 276.06809664
• SMILES: c12nc(cn1ccs2)Cc1nc(no1)C1COCC1
• Canonical SMILES: C1OCC(C1)c1noc(n1)Cc1cn2c(n1)scc2
• InChI: InChI=1S/C12H12N4O2S/c1-3-17-7-8(1)11-14-10(18-15-11)5-9-6-16-2-4-19-12(16)13-9/h2,4,6,8H,1,3,5,7H2
• InChIKey: BZZUQOYNEVGGQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-3-(oxolan-3-yl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-3-(oxolan-3-yl)-1,2,4-oxadiazole
• Synonyms: 6-{[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6278617
• LogD (pH = 7.4): 1.6439048
• Log P: 1.6441135
• Molar Refractivity: 81.5392 cm^3
• Polarizability: 25.819248 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.38
• LOG S: -2.39
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 3