2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide

C10H7N3O3S2 — CID 54728631

IUPAC2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(N)=O)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C10H7N3O3S2/c11-2-4-8-9(5(14)1-7(16)13-8)18-10(4)17-3-6(12)15/h1H,3H2,(H2,12,15)(H2,13,14,16)
InChIKeyIWPVKIGVVIVYSM-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.74
Rot. Bonds3

About 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide

2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 54728631) has the molecular formula C10H7N3O3S2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID54728631
Molecular FormulaC10H7N3O3S2
Molecular Weight281.32 g/mol
Exact Mass280.99
IUPAC Name2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(N)=O)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C10H7N3O3S2/c11-2-4-8-9(5(14)1-7(16)13-8)18-10(4)17-3-6(12)15/h1H,3H2,(H2,12,15)(H2,13,14,16)
InChIKeyIWPVKIGVVIVYSM-UHFFFAOYSA-N
XLogP0.74
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide (CID 54728631) is 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide is N#Cc1c(SCC(N)=O)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is IWPVKIGVVIVYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S2/c11-2-4-8-9(5(14)1-7(16)13-8)18-10(4)17-3-6(12)15/h1H,3H2,(H2,12,15)(H2,13,14,16).
What are the key properties of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide?
2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 54728631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).