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

• ChemBase ID: 761344
• Molecular Formular: C15H22N6OS
• Molecular Mass: 334.43978
• Monoisotopic Mass: 334.15758035
• SMILES: c12nc(sc1c(nn2C)C)N(Cc1cn(nc1)CC)CCOC
• Canonical SMILES: COCCN(c1sc2c(n1)n(nc2C)C)Cc1cnn(c1)CC
• InChI: InChI=1S/C15H22N6OS/c1-5-21-10-12(8-16-21)9-20(6-7-22-4)15-17-14-13(23-15)11(2)18-19(14)3/h8,10H,5-7,9H2,1-4H3
• InChIKey: YKJSOGYAPCJAHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9380109
• LogD (pH = 7.4): 1.9381722
• Log P: 1.9381744
• Molar Refractivity: 114.0357 cm^3
• Polarizability: 34.51623 Å^3
• Polar Surface Area: 61.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.41
• LOG S: -2.84
• Polar Surface Area: 61.0 Å^2
• Rotatable Bonds: 7