N-[2-(dimethylamino)ethyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

• ChemBase ID: 838949
• Molecular Formular: C11H19N5S
• Molecular Mass: 253.36706
• Monoisotopic Mass: 253.13611663
• SMILES: c12nc(sc1c(nn2C)C)N(CCN(C)C)C
• Canonical SMILES: CN(CCN(c1sc2c(n1)n(nc2C)C)C)C
• InChI: InChI=1S/C11H19N5S/c1-8-9-10(16(5)13-8)12-11(17-9)15(4)7-6-14(2)3/h6-7H2,1-5H3
• InChIKey: XHPPBEZMWTZYSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-N,1,3-trimethylpyrazolo[3,4-d][1,3]thiazol-5-amine
• Synonyms: N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N,N',N'-trimethylethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4346071
• LogD (pH = 7.4): 0.30378622
• Log P: 1.4946532
• Molar Refractivity: 82.7467 cm^3
• Polarizability: 27.161903 Å^3
• Polar Surface Area: 37.19 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: 1.29
• LOG S: -1.14
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 4