N-(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 503253
• Molecular Formular: C14H14N6S2
• Molecular Mass: 330.43116
• Monoisotopic Mass: 330.07213648
• SMILES: c12nc(cn1ncs2)C(Nc1c2c(sc(c2C)C)ncn1)C
• Canonical SMILES: CC(c1cn2c(n1)scn2)Nc1ncnc2c1c(C)c(s2)C
• InChI: InChI=1S/C14H14N6S2/c1-7-9(3)22-13-11(7)12(15-5-16-13)18-8(2)10-4-20-14(19-10)21-6-17-20/h4-6,8H,1-3H3,(H,15,16,18)
• InChIKey: ZOPOHZTXPVJSCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
• Synonyms: N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.156563
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.6956081
• LogD (pH = 7.4): 3.7037954
• Log P: 3.7039008
• Molar Refractivity: 110.7552 cm^3
• Polarizability: 32.804367 Å^3
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.93
• LOG S: -5.22
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 3