(5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C12H11NO2S — CID 1206018

IUPAC(5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C12H11NO2S/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7-
InChIKeyDZPOUCQZRNTFFR-YFHOEESVSA-N
MW233.29 g/mol
LogP2.57
Rot. Bonds2

About (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1206018) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1206018
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name(5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C12H11NO2S/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7-
InChIKeyDZPOUCQZRNTFFR-YFHOEESVSA-N
XLogP2.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.57
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

SMI-4a
CID 1361334
5-Benzylidenerhodanine
CID 1273210
(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione
CID 1239884
5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one
CID 1271002
(Z)-5-(3-Fluorobenzylidene)thiazolidine-2,4-dione
CID 1379720
(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243909
(Z)-5-(4-(Trifluoromethyl)benzylidene)thiazolidine-2,4-dione
CID 6006914
(Z)-5-(3-(Trifluoromethyl)benzylidene)-thiazolidine-2,4-dione
CID 2864586
5-{[3-(Trifluoromethyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1361332
(5Z)-5-{[4-(propan-2-yl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1379638
(5Z)-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5985287
(Z)-5-Benzylidenethiazolidine-2,4-dione
CID 1241442

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1206018) is (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCc1ccc(/C=C2\SC(=O)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DZPOUCQZRNTFFR-YFHOEESVSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7-.
What are the key properties of (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 233.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1206018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).