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

• ChemBase ID: 325587
• Molecular Formular: C18H16N6OS
• Molecular Mass: 364.42424
• Monoisotopic Mass: 364.11063016
• SMILES: c1(nc(on1)CN(Cc1nc(sc1)c1ccccc1)C)c1nccnc1
• Canonical SMILES: CN(Cc1csc(n1)c1ccccc1)Cc1onc(n1)c1nccnc1
• InChI: InChI=1S/C18H16N6OS/c1-24(10-14-12-26-18(21-14)13-5-3-2-4-6-13)11-16-22-17(23-25-16)15-9-19-7-8-20-15/h2-9,12H,10-11H2,1H3
• InChIKey: QGUBPBUSHJYPFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.3471227
• LogD (pH = 7.4): 2.6809363
• Log P: 2.6873915
• Molar Refractivity: 119.6695 cm^3
• Polarizability: 38.635044 Å^3
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.47
• LOG S: -2.2
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 6