5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid

C10H7NO5S — CID 160985393

IUPAC5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N2C(=O)CSC2=O)ccc1O
InChIInChI=1S/C10H7NO5S/c12-7-2-1-5(3-6(7)9(14)15)11-8(13)4-17-10(11)16/h1-3,12H,4H2,(H,14,15)
InChIKeyHUFOLDTXILWSKW-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.29
Rot. Bonds2

About 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid

5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid (PubChem CID 160985393) has the molecular formula C10H7NO5S and a molecular weight of 253.23 g/mol. Its IUPAC name is 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid
PubChem CID160985393
Molecular FormulaC10H7NO5S
Molecular Weight253.23 g/mol
Exact Mass253.00
IUPAC Name5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N2C(=O)CSC2=O)ccc1O
InChIInChI=1S/C10H7NO5S/c12-7-2-1-5(3-6(7)9(14)15)11-8(13)4-17-10(11)16/h1-3,12H,4H2,(H,14,15)
InChIKeyHUFOLDTXILWSKW-UHFFFAOYSA-N
XLogP1.29
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid (CID 160985393) is 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid is O=C(O)c1cc(N2C(=O)CSC2=O)ccc1O.
What is the InChIKey of 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid?
The InChIKey is HUFOLDTXILWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5S/c12-7-2-1-5(3-6(7)9(14)15)11-8(13)4-17-10(11)16/h1-3,12H,4H2,(H,14,15).
What are the key properties of 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid?
5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid has a molecular weight of 253.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 160985393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).