2-oxo-1,3-thiazolidine-5-carbaldehyde

C4H5NO2S — CID 19841663

IUPAC2-oxo-1,3-thiazolidine-5-carbaldehyde
SMILESO=CC1CNC(=O)S1
InChIInChI=1S/C4H5NO2S/c6-2-3-1-5-4(7)8-3/h2-3H,1H2,(H,5,7)
InChIKeyKLOWITDEBHMZKP-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.01
Rot. Bonds1

About 2-oxo-1,3-thiazolidine-5-carbaldehyde

2-oxo-1,3-thiazolidine-5-carbaldehyde (PubChem CID 19841663) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 2-oxo-1,3-thiazolidine-5-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1,3-thiazolidine-5-carbaldehyde
PubChem CID19841663
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name2-oxo-1,3-thiazolidine-5-carbaldehyde
SMILESO=CC1CNC(=O)S1
InChIInChI=1S/C4H5NO2S/c6-2-3-1-5-4(7)8-3/h2-3H,1H2,(H,5,7)
InChIKeyKLOWITDEBHMZKP-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-thiazolidine-5-carbaldehyde?
The IUPAC name of 2-oxo-1,3-thiazolidine-5-carbaldehyde (CID 19841663) is 2-oxo-1,3-thiazolidine-5-carbaldehyde.
What is the SMILES notation for 2-oxo-1,3-thiazolidine-5-carbaldehyde?
The canonical SMILES for 2-oxo-1,3-thiazolidine-5-carbaldehyde is O=CC1CNC(=O)S1.
What is the InChIKey of 2-oxo-1,3-thiazolidine-5-carbaldehyde?
The InChIKey is KLOWITDEBHMZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c6-2-3-1-5-4(7)8-3/h2-3H,1H2,(H,5,7).
What are the key properties of 2-oxo-1,3-thiazolidine-5-carbaldehyde?
2-oxo-1,3-thiazolidine-5-carbaldehyde has a molecular weight of 131.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-thiazolidine-5-carbaldehyde is sourced from PubChem (CID 19841663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).