1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-yl)piperazine

• ChemBase ID: 846494
• Molecular Formular: C12H15N5OS
• Molecular Mass: 277.3454
• Monoisotopic Mass: 277.09973113
• SMILES: c1(oc(nn1)C1CC1)N1CCN(c2nccs2)CC1
• Canonical SMILES: c1csc(n1)N1CCN(CC1)c1nnc(o1)C1CC1
• InChI: InChI=1S/C12H15N5OS/c1-2-9(1)10-14-15-11(18-10)16-4-6-17(7-5-16)12-13-3-8-19-12/h3,8-9H,1-2,4-7H2
• InChIKey: MOLJYPJVMSAVRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-yl)piperazine
• IUPAC Traditional name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-yl)piperazine
• Synonyms: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-yl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7293808
• LogD (pH = 7.4): 1.7311009
• Log P: 1.731123
• Molar Refractivity: 73.9557 cm^3
• Polarizability: 26.54168 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.83
• LOG S: -3.39
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 3