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

C11H9NO2S — CID 21364380

IUPAC(5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESC/C=C1/SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9NO2S/c1-2-9-10(13)12(11(14)15-9)8-6-4-3-5-7-8/h2-7H,1H3/b9-2+
InChIKeyXSXFYGXACNARRT-XNWCZRBMSA-N
MW219.27 g/mol
LogP2.79
Rot. Bonds1

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

(5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 21364380) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is (5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID21364380
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name(5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESC/C=C1/SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9NO2S/c1-2-9-10(13)12(11(14)15-9)8-6-4-3-5-7-8/h2-7H,1H3/b9-2+
InChIKeyXSXFYGXACNARRT-XNWCZRBMSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
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-(dimethylaminomethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2732563
(5Z)-5-[(2-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251958
5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
(5Z)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1350390
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251768
(5Z)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1232834
5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1362614
(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2262190
3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1350695
(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1348525
(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 126310080

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione (CID 21364380) is (5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione is C/C=C1/SC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is XSXFYGXACNARRT-XNWCZRBMSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-2-9-10(13)12(11(14)15-9)8-6-4-3-5-7-8/h2-7H,1H3/b9-2+.
What are the key properties of (5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione?
(5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 219.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21364380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).