7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile

C15H17N3O2S2 — CID 54676376

IUPAC7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(SCCN2CCCCC2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H17N3O2S2/c16-9-10-13-14(11(19)8-12(20)17-13)22-15(10)21-7-6-18-4-2-1-3-5-18/h8H,1-7H2,(H2,17,19,20)
InChIKeyCWIJIUAFDFEZTD-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.74
Rot. Bonds4

About 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile

7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile (PubChem CID 54676376) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile
PubChem CID54676376
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(SCCN2CCCCC2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H17N3O2S2/c16-9-10-13-14(11(19)8-12(20)17-13)22-15(10)21-7-6-18-4-2-1-3-5-18/h8H,1-7H2,(H2,17,19,20)
InChIKeyCWIJIUAFDFEZTD-UHFFFAOYSA-N
XLogP2.74
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile with MolForge

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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-2-(2-morpholin-4-ylethylthio)-5-oxo-4-hydrothiopheno[3,2-b]pyridine-3-carbonitrile
CID 54676378
5,7-Dihydroxy-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}thieno[3,2-b]pyridine-3-carboxamide
CID 54728217
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-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
CID 54691584
7-Hydroxy-5-oxo-2-(2-oxopropylthio)-4-hydrothiopheno[3,2-b]pyridine-3-carbonit rile
CID 54691601
2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide
CID 54691611
2-[(3-cyano-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridin-2-yl)thio]-N-isopropylacetamide
CID 54691612
2-(3-cyano-7-hydroxy-5-oxo(4-hydrothiopheno[4,5-b]pyridin-2-ylthio))-N-cyclopr opylacetamide
CID 54691613
ethyl 4-[[2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 54693374
N-[2-(3-cyano-7-hydroxy-5-oxo(4-hydrothiopheno[4,5-b]pyridin-2-ylthio))acetyl] ethoxycarboxamide
CID 54693386

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile (CID 54676376) is 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile is N#Cc1c(SCCN2CCCCC2)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The InChIKey is CWIJIUAFDFEZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c16-9-10-13-14(11(19)8-12(20)17-13)22-15(10)21-7-6-18-4-2-1-3-5-18/h8H,1-7H2,(H2,17,19,20).
What are the key properties of 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile?
7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile has a molecular weight of 335.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 54676376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).