N-cyclohexyl-1,3-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

• ChemBase ID: 376443
• Molecular Formular: C17H24N6S
• Molecular Mass: 344.47766
• Monoisotopic Mass: 344.1783158
• SMILES: c12nc(sc1c(nn2C)C)N(Cc1cn(nc1)C)C1CCCCC1
• Canonical SMILES: Cn1ncc(c1)CN(c1nc2c(s1)c(nn2C)C)C1CCCCC1
• InChI: InChI=1S/C17H24N6S/c1-12-15-16(22(3)20-12)19-17(24-15)23(14-7-5-4-6-8-14)11-13-9-18-21(2)10-13/h9-10,14H,4-8,11H2,1-3H3
• InChIKey: HJGIDLUSGOTULP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-1,3-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[3,4-d][1,3]thiazol-5-amine
• Synonyms: N-cyclohexyl-1,3-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4274452
• LogD (pH = 7.4): 3.4276104
• Log P: 3.4276123
• Molar Refractivity: 119.2578 cm^3
• Polarizability: 36.75338 Å^3
• Polar Surface Area: 51.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.92
• LOG S: -4.21
• Polar Surface Area: 51.77 Å^2
• Rotatable Bonds: 4