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

• ChemBase ID: 403139
• Molecular Formular: C15H25N5OS
• Molecular Mass: 323.4569
• Monoisotopic Mass: 323.17798145
• SMILES: c12nc(sc1c(nn2C)C)N(CC1OCCC1)CCN(C)C
• Canonical SMILES: CN(CCN(c1sc2c(n1)n(nc2C)C)CC1CCCO1)C
• InChI: InChI=1S/C15H25N5OS/c1-11-13-14(19(4)17-11)16-15(22-13)20(8-7-18(2)3)10-12-6-5-9-21-12/h12H,5-10H2,1-4H3
• InChIKey: JUYGPGSEMNEMDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-1,3-dimethyl-N-(oxolan-2-ylmethyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[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'-dimethyl-N-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0151467
• LogD (pH = 7.4): 0.7234806
• Log P: 1.9132422
• Molar Refractivity: 101.0014 cm^3
• Polarizability: 34.499607 Å^3
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.29
• LOG S: -1.65
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 6