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

C15H19N3O3S2 — CID 54728217

IUPAC7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCCN2CCCCC2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H19N3O3S2/c16-14(21)11-12-13(9(19)8-10(20)17-12)23-15(11)22-7-6-18-4-2-1-3-5-18/h8H,1-7H2,(H2,16,21)(H2,17,19,20)
InChIKeyZWXQFZSIXMWVCS-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.97
Rot. Bonds5

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

7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728217) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728217
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCCN2CCCCC2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H19N3O3S2/c16-14(21)11-12-13(9(19)8-10(20)17-12)23-15(11)22-7-6-18-4-2-1-3-5-18/h8H,1-7H2,(H2,16,21)(H2,17,19,20)
InChIKeyZWXQFZSIXMWVCS-UHFFFAOYSA-N
XLogP1.97
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728217) is 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide is NC(=O)c1c(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-carboxamide?
The InChIKey is ZWXQFZSIXMWVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c16-14(21)11-12-13(9(19)8-10(20)17-12)23-15(11)22-7-6-18-4-2-1-3-5-18/h8H,1-7H2,(H2,16,21)(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-carboxamide?
7-hydroxy-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 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-carboxamide is sourced from PubChem (CID 54728217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).