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

• ChemBase ID: 335827
• Molecular Formular: C17H23N5S
• Molecular Mass: 329.46302
• Monoisotopic Mass: 329.16741676
• SMILES: c12nc(sc1c(nn2C)C)N(C(CN(C)C)c1ccccc1)C
• Canonical SMILES: CN(CC(N(c1sc2c(n1)n(nc2C)C)C)c1ccccc1)C
• InChI: InChI=1S/C17H23N5S/c1-12-15-16(22(5)19-12)18-17(23-15)21(4)14(11-20(2)3)13-9-7-6-8-10-13/h6-10,14H,11H2,1-5H3
• InChIKey: MHFHFLIXQDRZMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.42669445
• LogD (pH = 7.4): 2.1825233
• Log P: 3.2788935
• Molar Refractivity: 107.0295 cm^3
• Polarizability: 36.746845 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: 3.03
• LOG S: -3.18
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5