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

C9H8N2O3S2 — CID 54728288

IUPAC7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESCSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C9H8N2O3S2/c1-15-9-5(8(10)14)6-7(16-9)3(12)2-4(13)11-6/h2H,1H3,(H2,10,14)(H2,11,12,13)
InChIKeySLAOETORVIZSAG-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.12
Rot. Bonds2

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

7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728288) has the molecular formula C9H8N2O3S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728288
Molecular FormulaC9H8N2O3S2
Molecular Weight256.31 g/mol
Exact Mass256.00
IUPAC Name7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESCSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C9H8N2O3S2/c1-15-9-5(8(10)14)6-7(16-9)3(12)2-4(13)11-6/h2H,1H3,(H2,10,14)(H2,11,12,13)
InChIKeySLAOETORVIZSAG-UHFFFAOYSA-N
XLogP1.12
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728288) is 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O.
What is the InChIKey of 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is SLAOETORVIZSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S2/c1-15-9-5(8(10)14)6-7(16-9)3(12)2-4(13)11-6/h2H,1H3,(H2,10,14)(H2,11,12,13).
What are the key properties of 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methylsulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).