oxalic acid;1,3-thiazolidine-2,4-dione

C5H5NO6S — CID 158343374

IUPACoxalic acid;1,3-thiazolidine-2,4-dione
SMILESO=C(O)C(=O)O.O=C1CSC(=O)N1
InChIInChI=1S/C3H3NO2S.C2H2O4/c5-2-1-7-3(6)4-2;3-1(4)2(5)6/h1H2,(H,4,5,6);(H,3,4)(H,5,6)
InChIKeyGRKSVDOQCNUZHH-UHFFFAOYSA-N
MW207.16 g/mol
LogP-0.88
Rot. Bonds

About oxalic acid;1,3-thiazolidine-2,4-dione

oxalic acid;1,3-thiazolidine-2,4-dione (PubChem CID 158343374) has the molecular formula C5H5NO6S and a molecular weight of 207.16 g/mol. Its IUPAC name is oxalic acid;1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Nameoxalic acid;1,3-thiazolidine-2,4-dione
PubChem CID158343374
Molecular FormulaC5H5NO6S
Molecular Weight207.16 g/mol
Exact Mass206.98
IUPAC Nameoxalic acid;1,3-thiazolidine-2,4-dione
SMILESO=C(O)C(=O)O.O=C1CSC(=O)N1
InChIInChI=1S/C3H3NO2S.C2H2O4/c5-2-1-7-3(6)4-2;3-1(4)2(5)6/h1H2,(H,4,5,6);(H,3,4)(H,5,6)
InChIKeyGRKSVDOQCNUZHH-UHFFFAOYSA-N
XLogP-0.88
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxalic acid;1,3-thiazolidine-2,4-dione 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 oxalic acid;1,3-thiazolidine-2,4-dione?
The IUPAC name of oxalic acid;1,3-thiazolidine-2,4-dione (CID 158343374) is oxalic acid;1,3-thiazolidine-2,4-dione.
What is the SMILES notation for oxalic acid;1,3-thiazolidine-2,4-dione?
The canonical SMILES for oxalic acid;1,3-thiazolidine-2,4-dione is O=C(O)C(=O)O.O=C1CSC(=O)N1.
What is the InChIKey of oxalic acid;1,3-thiazolidine-2,4-dione?
The InChIKey is GRKSVDOQCNUZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO2S.C2H2O4/c5-2-1-7-3(6)4-2;3-1(4)2(5)6/h1H2,(H,4,5,6);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1,3-thiazolidine-2,4-dione?
oxalic acid;1,3-thiazolidine-2,4-dione has a molecular weight of 207.16 g/mol, XLogP of -0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158343374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).