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

C13H13NO2S — CID 122417867

IUPAC(5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H13NO2S/c1-3-9-4-6-10(7-5-9)8-11-12(15)14(2)13(16)17-11/h4-8H,3H2,1-2H3/b11-8-
InChIKeySRVLGHFDTHHENK-FLIBITNWSA-N
MW247.32 g/mol
LogP2.92
Rot. Bonds2

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

(5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 122417867) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID122417867
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name(5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H13NO2S/c1-3-9-4-6-10(7-5-9)8-11-12(15)14(2)13(16)17-11/h4-8H,3H2,1-2H3/b11-8-
InChIKeySRVLGHFDTHHENK-FLIBITNWSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.92
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'}

Analyze (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-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

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 122711493
(5E)-5-[(4-ethylphenyl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6368996
(5Z)-5-[(4-ethylphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 1208945
5-[(4-ethylphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 2915659
(5Z)-3-(4-ethylphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836989
3-ethyl-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4587575
methyl 2-[5-[(4-ethylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 5225448
3-(4-ethylphenyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514337
4-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanal
CID 90793304
4-ethyl-N-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 7839932
2-(4-ethylphenyl)imino-3-methyl-5-[(4-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4308575
2-(4-ethylphenyl)imino-3-methyl-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4035970

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 122417867) is (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is CCc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is SRVLGHFDTHHENK-FLIBITNWSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-3-9-4-6-10(7-5-9)8-11-12(15)14(2)13(16)17-11/h4-8H,3H2,1-2H3/b11-8-.
What are the key properties of (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 247.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 122417867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).