3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

• ChemBase ID: 310682
• Molecular Formular: C11H13N3OS
• Molecular Mass: 235.30542
• Monoisotopic Mass: 235.07793305
• SMILES: c1(c(c2c(s1)nc(c(c2C)C)C)N)C(=O)N
• Canonical SMILES: NC(=O)c1sc2c(c1N)c(C)c(c(n2)C)C
• InChI: InChI=1S/C11H13N3OS/c1-4-5(2)7-8(12)9(10(13)15)16-11(7)14-6(4)3/h12H2,1-3H3,(H2,13,15)
• InChIKey: WSQCQUQIQLFVKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
• IUPAC Traditional name: 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
• Synonyms: 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

Database IDs

• CAS Number: 119003-37-1
• MDL Number: MFCD00569871

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9612828
• LogD (pH = 7.4): 1.9614252
• Log P: 1.961427
• Molar Refractivity: 65.4306 cm^3
• Polarizability: 24.211416 Å^3
• Polar Surface Area: 82.0 Å^2