7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile

C9H6N2O2S2 — CID 54691584

IUPAC7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
SMILESCSc1sc2c(O)cc(=O)[nH]c2c1C#N
InChIInChI=1S/C9H6N2O2S2/c1-14-9-4(3-10)7-8(15-9)5(12)2-6(13)11-7/h2H,1H3,(H2,11,12,13)
InChIKeyCERIDOXVWONMNG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.89
Rot. Bonds1

About 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile

7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile (PubChem CID 54691584) has the molecular formula C9H6N2O2S2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
PubChem CID54691584
Molecular FormulaC9H6N2O2S2
Molecular Weight238.29 g/mol
Exact Mass237.99
IUPAC Name7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
SMILESCSc1sc2c(O)cc(=O)[nH]c2c1C#N
InChIInChI=1S/C9H6N2O2S2/c1-14-9-4(3-10)7-8(15-9)5(12)2-6(13)11-7/h2H,1H3,(H2,11,12,13)
InChIKeyCERIDOXVWONMNG-UHFFFAOYSA-N
XLogP1.89
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile (CID 54691584) is 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile is CSc1sc2c(O)cc(=O)[nH]c2c1C#N.
What is the InChIKey of 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The InChIKey is CERIDOXVWONMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S2/c1-14-9-4(3-10)7-8(15-9)5(12)2-6(13)11-7/h2H,1H3,(H2,11,12,13).
What are the key properties of 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 54691584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).