N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

• ChemBase ID: 405175
• Molecular Formular: C15H20N6OS
• Molecular Mass: 332.4239
• Monoisotopic Mass: 332.14193029
• SMILES: c12c(c(nn2C)C)sc(n1)NCCc1nc(on1)C1CCCC1
• Canonical SMILES: Cc1nn(c2c1sc(n2)NCCc1noc(n1)C1CCCC1)C
• InChI: InChI=1S/C15H20N6OS/c1-9-12-13(21(2)19-9)18-15(23-12)16-8-7-11-17-14(22-20-11)10-5-3-4-6-10/h10H,3-8H2,1-2H3,(H,16,18)
• InChIKey: JBUUPQGSAZNQKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d][1,3]thiazol-5-amine
• Synonyms: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.840748
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.885956
• LogD (pH = 7.4): 2.886501
• Log P: 2.886508
• Molar Refractivity: 100.9735 cm^3
• Polarizability: 33.197807 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.53
• LOG S: -3.79
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 5