1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid

C9H10N2O4S2 — CID 87814892

IUPAC1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
SMILESO=C1N[C@H](C(=O)O)CS1.On1ccccc1=S
InChIInChI=1S/C5H5NOS.C4H5NO3S/c7-6-4-2-1-3-5(6)8;6-3(7)2-1-9-4(8)5-2/h1-4,7H;2H,1H2,(H,5,8)(H,6,7)/t;2-/m.0/s1
InChIKeySSUKUXLTEWVKJZ-WNQIDUERSA-N
MW274.32 g/mol
LogP1.35
Rot. Bonds1

About 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid

1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid (PubChem CID 87814892) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
PubChem CID87814892
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
SMILESO=C1N[C@H](C(=O)O)CS1.On1ccccc1=S
InChIInChI=1S/C5H5NOS.C4H5NO3S/c7-6-4-2-1-3-5(6)8;6-3(7)2-1-9-4(8)5-2/h1-4,7H;2H,1H2,(H,5,8)(H,6,7)/t;2-/m.0/s1
InChIKeySSUKUXLTEWVKJZ-WNQIDUERSA-N
XLogP1.35
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid (CID 87814892) is 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid is O=C1N[C@H](C(=O)O)CS1.On1ccccc1=S.
What is the InChIKey of 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SSUKUXLTEWVKJZ-WNQIDUERSA-N. The full InChI is InChI=1S/C5H5NOS.C4H5NO3S/c7-6-4-2-1-3-5(6)8;6-3(7)2-1-9-4(8)5-2/h1-4,7H;2H,1H2,(H,5,8)(H,6,7)/t;2-/m.0/s1.
What are the key properties of 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid?
1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyridine-2-thione;(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 87814892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).