N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

• ChemBase ID: 570205
• Molecular Formular: C17H22N4O2S
• Molecular Mass: 346.44718
• Monoisotopic Mass: 346.14634696
• SMILES: c12nc(sc1c(nn2C)C)N(Cc1ccc(cc1)OC)CCOC
• Canonical SMILES: COCCN(c1sc2c(n1)n(nc2C)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C17H22N4O2S/c1-12-15-16(20(2)19-12)18-17(24-15)21(9-10-22-3)11-13-5-7-14(23-4)8-6-13/h5-8H,9-11H2,1-4H3
• InChIKey: HVKRFKABXWLFCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d][1,3]thiazol-5-amine
• Synonyms: N-(4-methoxybenzyl)-N-(2-methoxyethyl)-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 52.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9957469
• LogD (pH = 7.4): 2.9958339
• Log P: 2.995835
• Molar Refractivity: 106.8469 cm^3
• Polarizability: 36.60093 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 52.41 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 0
• Log P: 2.85
• LOG S: -4.16