ethyl 2-oxo-1,3-thiazolidine-4-carboxylate

C6H9NO3S — CID 4176264

IUPACethyl 2-oxo-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(=O)N1
InChIInChI=1S/C6H9NO3S/c1-2-10-5(8)4-3-11-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)
InChIKeyYIXFAUAZZLBCMW-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.37
Rot. Bonds2

About ethyl 2-oxo-1,3-thiazolidine-4-carboxylate

ethyl 2-oxo-1,3-thiazolidine-4-carboxylate (PubChem CID 4176264) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is ethyl 2-oxo-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1,3-thiazolidine-4-carboxylate
PubChem CID4176264
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Nameethyl 2-oxo-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(=O)N1
InChIInChI=1S/C6H9NO3S/c1-2-10-5(8)4-3-11-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)
InChIKeyYIXFAUAZZLBCMW-UHFFFAOYSA-N
XLogP0.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 2-oxo-1,3-thiazolidine-4-carboxylate (CID 4176264) is ethyl 2-oxo-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(=O)N1.
What is the InChIKey of ethyl 2-oxo-1,3-thiazolidine-4-carboxylate?
The InChIKey is YIXFAUAZZLBCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-2-10-5(8)4-3-11-6(9)7-4/h4H,2-3H2,1H3,(H,7,9).
What are the key properties of ethyl 2-oxo-1,3-thiazolidine-4-carboxylate?
ethyl 2-oxo-1,3-thiazolidine-4-carboxylate has a molecular weight of 175.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 4176264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).