thieno[2,3-b]pyridine-2-carboximidamide

• ChemBase ID: 3514
• Molecular Formular: C8H7N3S
• Molecular Mass: 177.22628
• Monoisotopic Mass: 177.03606824
• SMILES: C(=N)(c1sc2c(c1)cccn2)N
• Canonical SMILES: NC(=N)c1cc2c(s1)nccc2
• InChI: InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)
• InChIKey: GZEJMYFXZMUAEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-b]pyridine-2-carboximidamide
• IUPAC Traditional name: thieno[2,3-b]pyridine-2-carboximidamide
• Synonyms: Thieno[2,3-B]Pyridine-2-Carboxamidine

Database IDs

• PubChem SID: 160966953; 46506268
• PubChem CID: 5439; 5438

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2589228
• LogD (pH = 7.4): -0.041700672
• Log P: 1.0519681
• Molar Refractivity: 58.6504 cm^3
• Polarizability: 18.634212 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.69
• LOG S: -2.81
• Solubility (Water): 3.28e-01 g/l

DETAILS

DrugBank - DB03876

Drug information: experimental