2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid

C9H10N2O3S — CID 68806425

IUPAC2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc[nH]c(=O)c2)N1
InChIInChI=1S/C9H10N2O3S/c12-7-3-5(1-2-10-7)8-11-6(4-15-8)9(13)14/h1-3,6,8,11H,4H2,(H,10,12)(H,13,14)
InChIKeyUXDWODWWGUSUSU-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.16
Rot. Bonds2

About 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid

2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 68806425) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID68806425
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc[nH]c(=O)c2)N1
InChIInChI=1S/C9H10N2O3S/c12-7-3-5(1-2-10-7)8-11-6(4-15-8)9(13)14/h1-3,6,8,11H,4H2,(H,10,12)(H,13,14)
InChIKeyUXDWODWWGUSUSU-UHFFFAOYSA-N
XLogP0.16
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 68806425) is 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2cc[nH]c(=O)c2)N1.
What is the InChIKey of 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UXDWODWWGUSUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-7-3-5(1-2-10-7)8-11-6(4-15-8)9(13)14/h1-3,6,8,11H,4H2,(H,10,12)(H,13,14).
What are the key properties of 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 68806425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).