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

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Related Compounds

2-(2-Azaperhydroepinylethylthio)-7-hydroxy-5-oxo-4-hydrothiopheno[3,2-b]pyridi ne-3-carbonitrile
CID 54676374
7-Hydroxy-5-oxo-2-(2-piperidylethylthio)-4-hydrothiopheno[3,2-b]pyridine-3-car bonitrile
CID 54676376
7-Hydroxy-2-(2-morpholin-4-ylethylthio)-5-oxo-4-hydrothiopheno[3,2-b]pyridine-3-carbonitrile
CID 54676378
2-(2-Cyanoethylthio)-7-hydroxy-5-oxo-4-hydrothiopheno[3,2-b]pyridine-3-carboni trile
CID 54733820
2-(Cyanomethylthio)-7-hydroxy-5-oxo-4-hydrothiopheno[3,2-b]pyridine-3-carbonit rile
CID 54691602
7-Hydroxy-5-oxo-2-(2-oxopropylthio)-4-hydrothiopheno[3,2-b]pyridine-3-carbonit rile
CID 54691601
7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one
CID 134855155
2-[(2-Fluorobenzyl)thio]-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carbonitrile
CID 54691593
2-[(3-Fluorobenzyl)thio]-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carbonitrile
CID 54691594
2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
CID 54737228
7-Hydroxy-2-(methylamino)-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carbonitrile
CID 54685589
2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide
CID 54691611

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).