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

C10H7N3O3S2 — CID 54728216

IUPAC2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESN#CCSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C10H7N3O3S2/c11-1-2-17-10-6(9(12)16)7-8(18-10)4(14)3-5(15)13-7/h3H,2H2,(H2,12,16)(H2,13,14,15)
InChIKeyCLNDJDXZHVDJHC-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.01
Rot. Bonds3

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

2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728216) has the molecular formula C10H7N3O3S2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728216
Molecular FormulaC10H7N3O3S2
Molecular Weight281.32 g/mol
Exact Mass280.99
IUPAC Name2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESN#CCSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C10H7N3O3S2/c11-1-2-17-10-6(9(12)16)7-8(18-10)4(14)3-5(15)13-7/h3H,2H2,(H2,12,16)(H2,13,14,15)
InChIKeyCLNDJDXZHVDJHC-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728216) is 2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is N#CCSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O.
What is the InChIKey of 2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is CLNDJDXZHVDJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S2/c11-1-2-17-10-6(9(12)16)7-8(18-10)4(14)3-5(15)13-7/h3H,2H2,(H2,12,16)(H2,13,14,15).
What are the key properties of 2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfanyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).