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

• ChemBase ID: 578491
• Molecular Formular: C15H20N6OS
• Molecular Mass: 332.4239
• Monoisotopic Mass: 332.14193029
• SMILES: c12nc(sc1c(nn2C)C)N(Cc1nc(on1)C1CCCC1)C
• Canonical SMILES: CN(c1sc2c(n1)n(nc2C)C)Cc1noc(n1)C1CCCC1
• InChI: InChI=1S/C15H20N6OS/c1-9-12-13(21(3)18-9)17-15(23-12)20(2)8-11-16-14(22-19-11)10-6-4-5-7-10/h10H,4-8H2,1-3H3
• InChIKey: BKCYGRJLMGZGGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3414266
• LogD (pH = 7.4): 3.341518
• Log P: 3.341519
• Molar Refractivity: 100.5089 cm^3
• Polarizability: 33.272495 Å^3
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.32
• LOG S: -3.6
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 4