3-ethyl-4-hydroxy-1,3-thiazolidin-2-one

C5H9NO2S — CID 153222709

IUPAC3-ethyl-4-hydroxy-1,3-thiazolidin-2-one
SMILESCCN1C(=O)SCC1O
InChIInChI=1S/C5H9NO2S/c1-2-6-4(7)3-9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyWNZLXKLBEIZSCQ-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.49
Rot. Bonds1

About 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one

3-ethyl-4-hydroxy-1,3-thiazolidin-2-one (PubChem CID 153222709) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-1,3-thiazolidin-2-one
PubChem CID153222709
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name3-ethyl-4-hydroxy-1,3-thiazolidin-2-one
SMILESCCN1C(=O)SCC1O
InChIInChI=1S/C5H9NO2S/c1-2-6-4(7)3-9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyWNZLXKLBEIZSCQ-UHFFFAOYSA-N
XLogP0.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one (CID 153222709) is 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one is CCN1C(=O)SCC1O.
What is the InChIKey of 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one?
The InChIKey is WNZLXKLBEIZSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-2-6-4(7)3-9-5(6)8/h4,7H,2-3H2,1H3.
What are the key properties of 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one?
3-ethyl-4-hydroxy-1,3-thiazolidin-2-one has a molecular weight of 147.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-1,3-thiazolidin-2-one is sourced from PubChem (CID 153222709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).