3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

• ChemBase ID: 310774
• Molecular Formular: C11H13N3O2S
• Molecular Mass: 251.30482
• Monoisotopic Mass: 251.07284767
• SMILES: c1(c(c2c(s1)nc(cc2COC)C)N)C(=O)N
• Canonical SMILES: COCc1cc(C)nc2c1c(N)c(s2)C(=O)N
• InChI: InChI=1S/C11H13N3O2S/c1-5-3-6(4-16-2)7-8(12)9(10(13)15)17-11(7)14-5/h3H,4,12H2,1-2H3,(H2,13,15)
• InChIKey: IHMBNOOUSWWUFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
• IUPAC Traditional name: 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
• Synonyms: 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

Database IDs

• CAS Number: 185430-52-8
• MDL Number: MFCD00441041

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8103553
• LogD (pH = 7.4): 0.81036085
• Log P: 0.8103609
• Molar Refractivity: 66.9153 cm^3
• Polarizability: 25.084742 Å^3
• Polar Surface Area: 91.23 Å^2