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

C11H9NO2S — CID 2243909

IUPAC(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(/C=C2\SC(=O)NC2=O)c1
InChIInChI=1S/C11H9NO2S/c1-7-3-2-4-8(5-7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)/b9-6-
InChIKeyTURIRIIGEMCNAC-TWGQIWQCSA-N
MW219.26 g/mol
LogP2.32
Rot. Bonds1

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

(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2243909) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is (5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2243909
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(/C=C2\SC(=O)NC2=O)c1
InChIInChI=1S/C11H9NO2S/c1-7-3-2-4-8(5-7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)/b9-6-
InChIKeyTURIRIIGEMCNAC-TWGQIWQCSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.32
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

5-Benzylidenerhodanine
CID 1273210
SMI-4a
CID 1361334
(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
(Z)-5-(4-(Trifluoromethyl)benzylidene)thiazolidine-2,4-dione
CID 6006914
(5Z)-5-[[3-(Trifluoromethyl)phenyl]methylene]-2,4-thiazolidinedione
CID 2864586
5-{[3-(Trifluoromethyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1361332
5-(4-Ethylbenzylidene)-1,3-thiazolidine-2,4-dione
CID 1206018
(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
(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 6056260

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2243909) is (5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1cccc(/C=C2\SC(=O)NC2=O)c1.
What is the InChIKey of (5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is TURIRIIGEMCNAC-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-7-3-2-4-8(5-7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)/b9-6-.
What are the key properties of (5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 219.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2243909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).