4-{6-[2-(1,3-thiazol-2-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}morpholine

• ChemBase ID: 850569
• Molecular Formular: C16H19N7O2S
• Molecular Mass: 373.43276
• Monoisotopic Mass: 373.13209388
• SMILES: c1(nc2c(nc1N1CCOCC1)non2)N1C(c2nccs2)CCCC1
• Canonical SMILES: O1CCN(CC1)c1nc2nonc2nc1N1CCCCC1c1nccs1
• InChI: InChI=1S/C16H19N7O2S/c1-2-5-23(11(3-1)16-17-4-10-26-16)15-14(22-6-8-24-9-7-22)18-12-13(19-15)21-25-20-12/h4,10-11H,1-3,5-9H2
• InChIKey: FWXMLBPVQUXRGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{6-[2-(1,3-thiazol-2-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}morpholine
• IUPAC Traditional name: 4-{6-[2-(1,3-thiazol-2-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}morpholine
• Synonyms: 5-(4-morpholinyl)-6-[2-(1,3-thiazol-2-yl)-1-piperidinyl][1,2,5]oxadiazolo[3,4-b]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 2.2430246
• LogD (pH = 7.4): 2.2431877
• Log P: 2.2431898
• Molar Refractivity: 100.5606 cm^3
• Polarizability: 35.47746 Å^3
• Polar Surface Area: 93.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.63
• LOG S: -2.07
• Polar Surface Area: 93.3 Å^2
• Rotatable Bonds: 3