ethyl 2-oxo-1,3-thiazolidine-3-carboxylate

C6H9NO3S — CID 45123075

IUPACethyl 2-oxo-1,3-thiazolidine-3-carboxylate
SMILESCCOC(=O)N1CCSC1=O
InChIInChI=1S/C6H9NO3S/c1-2-10-5(8)7-3-4-11-6(7)9/h2-4H2,1H3
InChIKeyOJRCVBWGMAJEID-UHFFFAOYSA-N
MW175.21 g/mol
LogP1.31
Rot. Bonds1

About ethyl 2-oxo-1,3-thiazolidine-3-carboxylate

ethyl 2-oxo-1,3-thiazolidine-3-carboxylate (PubChem CID 45123075) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is ethyl 2-oxo-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1,3-thiazolidine-3-carboxylate
PubChem CID45123075
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Nameethyl 2-oxo-1,3-thiazolidine-3-carboxylate
SMILESCCOC(=O)N1CCSC1=O
InChIInChI=1S/C6H9NO3S/c1-2-10-5(8)7-3-4-11-6(7)9/h2-4H2,1H3
InChIKeyOJRCVBWGMAJEID-UHFFFAOYSA-N
XLogP1.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-oxo-1,3-thiazolidine-3-carboxylate 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 ethyl 2-oxo-1,3-thiazolidine-3-carboxylate?
The IUPAC name of ethyl 2-oxo-1,3-thiazolidine-3-carboxylate (CID 45123075) is ethyl 2-oxo-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-1,3-thiazolidine-3-carboxylate is CCOC(=O)N1CCSC1=O.
What is the InChIKey of ethyl 2-oxo-1,3-thiazolidine-3-carboxylate?
The InChIKey is OJRCVBWGMAJEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-2-10-5(8)7-3-4-11-6(7)9/h2-4H2,1H3.
What are the key properties of ethyl 2-oxo-1,3-thiazolidine-3-carboxylate?
ethyl 2-oxo-1,3-thiazolidine-3-carboxylate has a molecular weight of 175.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 45123075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).