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

• ChemBase ID: 533056
• Molecular Formular: C13H17N5S2
• Molecular Mass: 307.43758
• Monoisotopic Mass: 307.09253757
• SMILES: c12nc(sc1c(nn2C)C)N(C(c1nc(cs1)C)C)C
• Canonical SMILES: Cc1csc(n1)C(N(c1nc2c(s1)c(nn2C)C)C)C
• InChI: InChI=1S/C13H17N5S2/c1-7-6-19-12(14-7)9(3)17(4)13-15-11-10(20-13)8(2)16-18(11)5/h6,9H,1-5H3
• InChIKey: LRPBOXDGGMIRQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N,1,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[3,4-d][1,3]thiazol-5-amine
• Synonyms: N,1,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6323605
• LogD (pH = 7.4): 2.6325727
• Log P: 2.6325755
• Molar Refractivity: 92.961 cm^3
• Polarizability: 31.112946 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.96
• LOG S: -3.97
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3