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

• ChemBase ID: 425140
• Molecular Formular: C13H23N5S
• Molecular Mass: 281.42022
• Monoisotopic Mass: 281.16741676
• SMILES: c12c(c(nn2C)C)sc(n1)NCCCCCN(C)C
• Canonical SMILES: CN(CCCCCNc1sc2c(n1)n(nc2C)C)C
• InChI: InChI=1S/C13H23N5S/c1-10-11-12(18(4)16-10)15-13(19-11)14-8-6-5-7-9-17(2)3/h5-9H2,1-4H3,(H,14,15)
• InChIKey: RGLNQXSNMKIIDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(dimethylamino)pentyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N-[5-(dimethylamino)pentyl]-1,3-dimethylpyrazolo[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-dimethylpentane-1,5-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.155295
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5552477
• LogD (pH = 7.4): -0.47837627
• Log P: 1.8812786
• Molar Refractivity: 92.6229 cm^3
• Polarizability: 30.839514 Å^3
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.07
• LOG S: -2.01
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 7