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

• ChemBase ID: 741270
• Molecular Formular: C13H14N6OS
• Molecular Mass: 302.35486
• Monoisotopic Mass: 302.0949801
• SMILES: c1(nc(cs1)CCNc1oc(nn1)CC)c1nccnc1
• Canonical SMILES: CCc1nnc(o1)NCCc1csc(n1)c1cnccn1
• InChI: InChI=1S/C13H14N6OS/c1-2-11-18-19-13(20-11)16-4-3-9-8-21-12(17-9)10-7-14-5-6-15-10/h5-8H,2-4H2,1H3,(H,16,19)
• InChIKey: HYCXDHABSCPWRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.938863
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.6123286
• LogD (pH = 7.4): 0.6123284
• Log P: 0.6123405
• Molar Refractivity: 90.1323 cm^3
• Polarizability: 29.718128 Å^3
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.67
• LOG S: -2.37
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 6