(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione

C12H9NO2S — CID 1377750

IUPAC(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\C=C\c2ccccc2)S1
InChIInChI=1S/C12H9NO2S/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)/b7-4+,10-8+
InChIKeyXABHYXPBBJGVRA-DAAQNPAKSA-N
MW231.28 g/mol
LogP2.57
Rot. Bonds2

About (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1377750) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1377750
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\C=C\c2ccccc2)S1
InChIInChI=1S/C12H9NO2S/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)/b7-4+,10-8+
InChIKeyXABHYXPBBJGVRA-DAAQNPAKSA-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 ≤ 500231.28
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'}

Analyze (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-(4-Fluorobenzylidene)rhodanine
CID 1207359
(Z)-5-(3-(Trifluoromethyl)benzylidene)-thiazolidine-2,4-dione
CID 2864586
5-{[3-(Trifluoromethyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1361332
5-(3-Bromo-benzylidene)-thiazolidine-2,4-dione
CID 1201119
(5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1201120

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione (CID 1377750) is (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\C=C\c2ccccc2)S1.
What is the InChIKey of (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is XABHYXPBBJGVRA-DAAQNPAKSA-N. The full InChI is InChI=1S/C12H9NO2S/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)/b7-4+,10-8+.
What are the key properties of (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 231.28 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 (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1377750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).