6-(furan-2-yl)-3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

• ChemBase ID: 483464
• Molecular Formular: C11H10N4O2S
• Molecular Mass: 262.2877
• Monoisotopic Mass: 262.05244658
• SMILES: n12c(sc(n2)c2occc2)nnc1C1OCCC1
• Canonical SMILES: C1COC(C1)c1nnc2n1nc(s2)c1ccco1
• InChI: InChI=1S/C11H10N4O2S/c1-3-7(16-5-1)9-12-13-11-15(9)14-10(18-11)8-4-2-6-17-8/h2,4,6-7H,1,3,5H2
• InChIKey: NWHLJURHFWVWTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(furan-2-yl)-3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• IUPAC Traditional name: 6-(furan-2-yl)-3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• Synonyms: 6-(2-furyl)-3-(tetrahydrofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4739593
• LogD (pH = 7.4): 1.4739593
• Log P: 1.4739593
• Molar Refractivity: 97.4982 cm^3
• Polarizability: 24.823105 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.94
• LOG S: -1.92
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 2