ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate

C8H13NO3S — CID 21297218

IUPACethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate
SMILESCCOC(=O)C(C)N1CSCC1=O
InChIInChI=1S/C8H13NO3S/c1-3-12-8(11)6(2)9-5-13-4-7(9)10/h6H,3-5H2,1-2H3
InChIKeyJQVKGHOGAQBQPB-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.47
Rot. Bonds3

About ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate

ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate (PubChem CID 21297218) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate
PubChem CID21297218
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Nameethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate
SMILESCCOC(=O)C(C)N1CSCC1=O
InChIInChI=1S/C8H13NO3S/c1-3-12-8(11)6(2)9-5-13-4-7(9)10/h6H,3-5H2,1-2H3
InChIKeyJQVKGHOGAQBQPB-UHFFFAOYSA-N
XLogP0.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate 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-(4-oxo-1,3-thiazolidin-3-yl)propanoate?
The IUPAC name of ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate (CID 21297218) is ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate.
What is the SMILES notation for ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate?
The canonical SMILES for ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate is CCOC(=O)C(C)N1CSCC1=O.
What is the InChIKey of ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate?
The InChIKey is JQVKGHOGAQBQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-3-12-8(11)6(2)9-5-13-4-7(9)10/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate?
ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate has a molecular weight of 203.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-1,3-thiazolidin-3-yl)propanoate is sourced from PubChem (CID 21297218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).