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

C5H7NO2S — CID 22027203

IUPAC2-ethyl-1,3-thiazolidine-4,5-dione
SMILESCCC1NC(=O)C(=O)S1
InChIInChI=1S/C5H7NO2S/c1-2-3-6-4(7)5(8)9-3/h3H,2H2,1H3,(H,6,7)
InChIKeyGFCPBMGIXZNQNN-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.11
Rot. Bonds1

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

2-ethyl-1,3-thiazolidine-4,5-dione (PubChem CID 22027203) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazolidine-4,5-dione.

Molecular Properties

Compound Name2-ethyl-1,3-thiazolidine-4,5-dione
PubChem CID22027203
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name2-ethyl-1,3-thiazolidine-4,5-dione
SMILESCCC1NC(=O)C(=O)S1
InChIInChI=1S/C5H7NO2S/c1-2-3-6-4(7)5(8)9-3/h3H,2H2,1H3,(H,6,7)
InChIKeyGFCPBMGIXZNQNN-UHFFFAOYSA-N
XLogP0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazolidine-4,5-dione?
The IUPAC name of 2-ethyl-1,3-thiazolidine-4,5-dione (CID 22027203) is 2-ethyl-1,3-thiazolidine-4,5-dione.
What is the SMILES notation for 2-ethyl-1,3-thiazolidine-4,5-dione?
The canonical SMILES for 2-ethyl-1,3-thiazolidine-4,5-dione is CCC1NC(=O)C(=O)S1.
What is the InChIKey of 2-ethyl-1,3-thiazolidine-4,5-dione?
The InChIKey is GFCPBMGIXZNQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-2-3-6-4(7)5(8)9-3/h3H,2H2,1H3,(H,6,7).
What are the key properties of 2-ethyl-1,3-thiazolidine-4,5-dione?
2-ethyl-1,3-thiazolidine-4,5-dione has a molecular weight of 145.18 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazolidine-4,5-dione is sourced from PubChem (CID 22027203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).