N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

• ChemBase ID: 585632
• Molecular Formular: C15H15FN6O2S
• Molecular Mass: 362.3820032
• Monoisotopic Mass: 362.09612297
• SMILES: c1(nc(on1)CCC(=O)NCCc1sc(nn1)N)c1c(F)cccc1
• Canonical SMILES: O=C(CCc1onc(n1)c1ccccc1F)NCCc1nnc(s1)N
• InChI: InChI=1S/C15H15FN6O2S/c16-10-4-2-1-3-9(10)14-19-12(24-22-14)6-5-11(23)18-8-7-13-20-21-15(17)25-13/h1-4H,5-8H2,(H2,17,21)(H,18,23)
• InChIKey: DZLVOZNVPFOCOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
• IUPAC Traditional name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
• Synonyms: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.846472
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.2619667
• LogD (pH = 7.4): 1.2619703
• Log P: 1.2619705
• Molar Refractivity: 102.4984 cm^3
• Polarizability: 33.613483 Å^3
• Polar Surface Area: 119.82 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.04
• LOG S: -3.12
• Polar Surface Area: 119.82 Å^2
• Rotatable Bonds: 7