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

C5H7NO2S — CID 5168051

IUPAC3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)CSC1=O
InChIInChI=1S/C5H7NO2S/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3
InChIKeyIKQROFBYABVNTB-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.70
Rot. Bonds1

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

3-ethyl-1,3-thiazolidine-2,4-dione (PubChem CID 5168051) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-ethyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1,3-thiazolidine-2,4-dione
PubChem CID5168051
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)CSC1=O
InChIInChI=1S/C5H7NO2S/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3
InChIKeyIKQROFBYABVNTB-UHFFFAOYSA-N
XLogP0.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
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-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-ethyl-1,3-thiazolidine-2,4-dione (CID 5168051) is 3-ethyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-1,3-thiazolidine-2,4-dione is CCN1C(=O)CSC1=O.
What is the InChIKey of 3-ethyl-1,3-thiazolidine-2,4-dione?
The InChIKey is IKQROFBYABVNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3.
What are the key properties of 3-ethyl-1,3-thiazolidine-2,4-dione?
3-ethyl-1,3-thiazolidine-2,4-dione has a molecular weight of 145.18 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 5168051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).