(5E)-5-ethylidene-1,3-thiazolidine-2,4-dione

C5H5NO2S — CID 23128889

IUPAC(5E)-5-ethylidene-1,3-thiazolidine-2,4-dione
SMILESC/C=C1/SC(=O)NC1=O
InChIInChI=1S/C5H5NO2S/c1-2-3-4(7)6-5(8)9-3/h2H,1H3,(H,6,7,8)/b3-2+
InChIKeyIMRZMNPKDMFTBV-NSCUHMNNSA-N
MW143.17 g/mol
LogP0.87
Rot. Bonds

About (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione

(5E)-5-ethylidene-1,3-thiazolidine-2,4-dione (PubChem CID 23128889) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-ethylidene-1,3-thiazolidine-2,4-dione
PubChem CID23128889
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name(5E)-5-ethylidene-1,3-thiazolidine-2,4-dione
SMILESC/C=C1/SC(=O)NC1=O
InChIInChI=1S/C5H5NO2S/c1-2-3-4(7)6-5(8)9-3/h2H,1H3,(H,6,7,8)/b3-2+
InChIKeyIMRZMNPKDMFTBV-NSCUHMNNSA-N
XLogP0.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 90994693
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 57456999
(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 21374241
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3100428
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 158844505
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 54114505
(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide
CID 39840446

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione (CID 23128889) is (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione is C/C=C1/SC(=O)NC1=O.
What is the InChIKey of (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione?
The InChIKey is IMRZMNPKDMFTBV-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H5NO2S/c1-2-3-4(7)6-5(8)9-3/h2H,1H3,(H,6,7,8)/b3-2+.
What are the key properties of (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione?
(5E)-5-ethylidene-1,3-thiazolidine-2,4-dione has a molecular weight of 143.17 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 23128889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).