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

C11H10N2O4S2 — CID 54728865

IUPAC7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESCC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C11H10N2O4S2/c1-4(14)3-18-11-7(10(12)17)8-9(19-11)5(15)2-6(16)13-8/h2H,3H2,1H3,(H2,12,17)(H2,13,15,16)
InChIKeyQCQLKJGLWZEJJW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.08
Rot. Bonds4

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

7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728865) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728865
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESCC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C11H10N2O4S2/c1-4(14)3-18-11-7(10(12)17)8-9(19-11)5(15)2-6(16)13-8/h2H,3H2,1H3,(H2,12,17)(H2,13,15,16)
InChIKeyQCQLKJGLWZEJJW-UHFFFAOYSA-N
XLogP1.08
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.08
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-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728865) is 7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide is CC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O.
What is the InChIKey of 7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is QCQLKJGLWZEJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-4(14)3-18-11-7(10(12)17)8-9(19-11)5(15)2-6(16)13-8/h2H,3H2,1H3,(H2,12,17)(H2,13,15,16).
What are the key properties of 7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide?
7-hydroxy-5-oxo-2-(2-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.08, 4 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-oxopropylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).