6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid

C10H8N2O4S — CID 106903622

IUPAC6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2C(=O)CSC2=O)n1
InChIInChI=1S/C10H8N2O4S/c13-8-5-17-10(16)12(8)4-6-2-1-3-7(11-6)9(14)15/h1-3H,4-5H2,(H,14,15)
InChIKeyXWAWZRJSOKVSTB-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.98
Rot. Bonds3

About 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid

6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106903622) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106903622
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2C(=O)CSC2=O)n1
InChIInChI=1S/C10H8N2O4S/c13-8-5-17-10(16)12(8)4-6-2-1-3-7(11-6)9(14)15/h1-3H,4-5H2,(H,14,15)
InChIKeyXWAWZRJSOKVSTB-UHFFFAOYSA-N
XLogP0.98
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid (CID 106903622) is 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CN2C(=O)CSC2=O)n1.
What is the InChIKey of 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is XWAWZRJSOKVSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c13-8-5-17-10(16)12(8)4-6-2-1-3-7(11-6)9(14)15/h1-3H,4-5H2,(H,14,15).
What are the key properties of 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 252.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).