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

• ChemBase ID: 711922
• Molecular Formular: C15H25N5S
• Molecular Mass: 307.4575
• Monoisotopic Mass: 307.18306683
• SMILES: c12nc(sc1c(nn2C)C)N(CCN(C)C)C1CCCC1
• Canonical SMILES: CN(CCN(c1sc2c(n1)n(nc2C)C)C1CCCC1)C
• InChI: InChI=1S/C15H25N5S/c1-11-13-14(19(4)17-11)16-15(21-13)20(10-9-18(2)3)12-7-5-6-8-12/h12H,5-10H2,1-4H3
• InChIKey: VGHMIFIUHIYVPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.07860011
• LogD (pH = 7.4): 1.6601444
• Log P: 2.849355
• Molar Refractivity: 99.1599 cm^3
• Polarizability: 33.793983 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.78
• LOG S: -2.81
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5