3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione

C5H7NO2S2 — CID 57436919

IUPAC3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)SC(S)C1=O
InChIInChI=1S/C5H7NO2S2/c1-2-6-3(7)4(9)10-5(6)8/h4,9H,2H2,1H3
InChIKeyAWXLHSIOTVTIQZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.96
Rot. Bonds1

About 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione

3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione (PubChem CID 57436919) has the molecular formula C5H7NO2S2 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione
PubChem CID57436919
Molecular FormulaC5H7NO2S2
Molecular Weight177.25 g/mol
Exact Mass176.99
IUPAC Name3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)SC(S)C1=O
InChIInChI=1S/C5H7NO2S2/c1-2-6-3(7)4(9)10-5(6)8/h4,9H,2H2,1H3
InChIKeyAWXLHSIOTVTIQZ-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione (CID 57436919) is 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione is CCN1C(=O)SC(S)C1=O.
What is the InChIKey of 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione?
The InChIKey is AWXLHSIOTVTIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S2/c1-2-6-3(7)4(9)10-5(6)8/h4,9H,2H2,1H3.
What are the key properties of 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione?
3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione has a molecular weight of 177.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 57436919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).