4-oxo-1,3-thiazolidine-2-carbaldehyde

C4H5NO2S — CID 91229797

IUPAC4-oxo-1,3-thiazolidine-2-carbaldehyde
SMILESO=CC1NC(=O)CS1
InChIInChI=1S/C4H5NO2S/c6-1-4-5-3(7)2-8-4/h1,4H,2H2,(H,5,7)
InChIKeyGKFTUEGAAKWOAZ-UHFFFAOYSA-N
MW131.16 g/mol
LogP-0.63
Rot. Bonds1

About 4-oxo-1,3-thiazolidine-2-carbaldehyde

4-oxo-1,3-thiazolidine-2-carbaldehyde (PubChem CID 91229797) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 4-oxo-1,3-thiazolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-oxo-1,3-thiazolidine-2-carbaldehyde
PubChem CID91229797
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name4-oxo-1,3-thiazolidine-2-carbaldehyde
SMILESO=CC1NC(=O)CS1
InChIInChI=1S/C4H5NO2S/c6-1-4-5-3(7)2-8-4/h1,4H,2H2,(H,5,7)
InChIKeyGKFTUEGAAKWOAZ-UHFFFAOYSA-N
XLogP-0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-oxo-1,3-thiazolidine-2-carbaldehyde 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 4-oxo-1,3-thiazolidine-2-carbaldehyde?
The IUPAC name of 4-oxo-1,3-thiazolidine-2-carbaldehyde (CID 91229797) is 4-oxo-1,3-thiazolidine-2-carbaldehyde.
What is the SMILES notation for 4-oxo-1,3-thiazolidine-2-carbaldehyde?
The canonical SMILES for 4-oxo-1,3-thiazolidine-2-carbaldehyde is O=CC1NC(=O)CS1.
What is the InChIKey of 4-oxo-1,3-thiazolidine-2-carbaldehyde?
The InChIKey is GKFTUEGAAKWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c6-1-4-5-3(7)2-8-4/h1,4H,2H2,(H,5,7).
What are the key properties of 4-oxo-1,3-thiazolidine-2-carbaldehyde?
4-oxo-1,3-thiazolidine-2-carbaldehyde has a molecular weight of 131.16 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,3-thiazolidine-2-carbaldehyde is sourced from PubChem (CID 91229797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).