N-{dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}-N-(3-methoxypropyl)-1-methylpiperidin-4-amine

• ChemBase ID: 529134
• Molecular Formular: C16H27N5OS
• Molecular Mass: 337.48348
• Monoisotopic Mass: 337.19363151
• SMILES: c12nc(sc1c(nn2C)C)N(C1CCN(CC1)C)CCCOC
• Canonical SMILES: COCCCN(c1sc2c(n1)n(nc2C)C)C1CCN(CC1)C
• InChI: InChI=1S/C16H27N5OS/c1-12-14-15(20(3)18-12)17-16(23-14)21(8-5-11-22-4)13-6-9-19(2)10-7-13/h13H,5-11H2,1-4H3
• InChIKey: MEMZUQIAHUWIFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
• IUPAC Traditional name: N-{dimethylpyrazolo[3,4-d][1,3]thiazol-5-yl}-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
• Synonyms: N-(3-methoxypropyl)-1,3-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.933393
• LogD (pH = 7.4): 0.8286274
• Log P: 1.515799
• Molar Refractivity: 106.0876 cm^3
• Polarizability: 36.33715 Å^3
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.95
• LOG S: -2.32
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 6