4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide

C8H6N2O2S — CID 139790980

IUPAC4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)C1=C2C(=O)C=CN=C2SC1
InChIInChI=1S/C8H6N2O2S/c9-7(12)4-3-13-8-6(4)5(11)1-2-10-8/h1-2H,3H2,(H2,9,12)
InChIKeyREKKDLACFGCZHK-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.01
Rot. Bonds1

About 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide

4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide (PubChem CID 139790980) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide
PubChem CID139790980
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)C1=C2C(=O)C=CN=C2SC1
InChIInChI=1S/C8H6N2O2S/c9-7(12)4-3-13-8-6(4)5(11)1-2-10-8/h1-2H,3H2,(H2,9,12)
InChIKeyREKKDLACFGCZHK-UHFFFAOYSA-N
XLogP0.01
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide (CID 139790980) is 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide is NC(=O)C1=C2C(=O)C=CN=C2SC1.
What is the InChIKey of 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is REKKDLACFGCZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c9-7(12)4-3-13-8-6(4)5(11)1-2-10-8/h1-2H,3H2,(H2,9,12).
What are the key properties of 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide?
4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 194.22 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2H-thieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 139790980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).