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

C7H11NO2S — CID 24846698

IUPAC5,5-diethyl-1,3-thiazolidine-2,4-dione
SMILESCCC1(CC)SC(=O)NC1=O
InChIInChI=1S/C7H11NO2S/c1-3-7(4-2)5(9)8-6(10)11-7/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyICKLQYXMLPQXJG-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.53
Rot. Bonds2

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

5,5-diethyl-1,3-thiazolidine-2,4-dione (PubChem CID 24846698) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 5,5-diethyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-1,3-thiazolidine-2,4-dione
PubChem CID24846698
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name5,5-diethyl-1,3-thiazolidine-2,4-dione
SMILESCCC1(CC)SC(=O)NC1=O
InChIInChI=1S/C7H11NO2S/c1-3-7(4-2)5(9)8-6(10)11-7/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyICKLQYXMLPQXJG-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.53
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 5,5-diethyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-1,3-thiazolidine-2,4-dione (CID 24846698) is 5,5-diethyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-1,3-thiazolidine-2,4-dione is CCC1(CC)SC(=O)NC1=O.
What is the InChIKey of 5,5-diethyl-1,3-thiazolidine-2,4-dione?
The InChIKey is ICKLQYXMLPQXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-3-7(4-2)5(9)8-6(10)11-7/h3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 5,5-diethyl-1,3-thiazolidine-2,4-dione?
5,5-diethyl-1,3-thiazolidine-2,4-dione has a molecular weight of 173.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 24846698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).