3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione

C13H16N2O2S — CID 16643933

IUPAC3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)SC(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C13H16N2O2S/c1-3-14(10-8-6-5-7-9-10)12-11(16)15(4-2)13(17)18-12/h5-9,12H,3-4H2,1-2H3
InChIKeyHYOKUJCWXAICPQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.55
Rot. Bonds4

About 3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione

3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione (PubChem CID 16643933) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione
PubChem CID16643933
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)SC(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C13H16N2O2S/c1-3-14(10-8-6-5-7-9-10)12-11(16)15(4-2)13(17)18-12/h5-9,12H,3-4H2,1-2H3
InChIKeyHYOKUJCWXAICPQ-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione (CID 16643933) is 3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione is CCN1C(=O)SC(N(CC)c2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione?
The InChIKey is HYOKUJCWXAICPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-14(10-8-6-5-7-9-10)12-11(16)15(4-2)13(17)18-12/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione?
3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione has a molecular weight of 264.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(N-ethylanilino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 16643933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).