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

• ChemBase ID: 686554
• Molecular Formular: C20H27N5S
• Molecular Mass: 369.52688
• Monoisotopic Mass: 369.19871689
• SMILES: c12nc(sc1c(nn2C)C)N(CC1CCN(Cc2ccccc2)CC1)C
• Canonical SMILES: CN(c1sc2c(n1)n(nc2C)C)CC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C20H27N5S/c1-15-18-19(24(3)22-15)21-20(26-18)23(2)13-17-9-11-25(12-10-17)14-16-7-5-4-6-8-16/h4-8,17H,9-14H2,1-3H3
• InChIKey: XIPGVHKZBOJLJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.43634385
• LogD (pH = 7.4): 1.9762815
• Log P: 3.6878886
• Molar Refractivity: 119.6093 cm^3
• Polarizability: 41.545174 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.43
• LOG S: -3.81
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5