4-{2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3-thiazol-2-amine

• ChemBase ID: 760265
• Molecular Formular: C11H14N4O2S
• Molecular Mass: 266.31946
• Monoisotopic Mass: 266.08374671
• SMILES: n1c(noc1CCc1nc(sc1)N)C1COCC1
• Canonical SMILES: Nc1scc(n1)CCc1onc(n1)C1COCC1
• InChI: InChI=1S/C11H14N4O2S/c12-11-13-8(6-18-11)1-2-9-14-10(15-17-9)7-3-4-16-5-7/h6-7H,1-5H2,(H2,12,13)
• InChIKey: CDJOUOQEYQUCSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-{2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3-thiazol-2-amine
• Synonyms: 4-{2-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.942783
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1034331
• LogD (pH = 7.4): 1.1896577
• Log P: 1.1908811
• Molar Refractivity: 68.0161 cm^3
• Polarizability: 24.857075 Å^3
• Polar Surface Area: 87.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.1
• LOG S: -1.06
• Polar Surface Area: 87.06 Å^2
• Rotatable Bonds: 4