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

C20H19NO3S — CID 18839823

IUPAC(5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\SC(=O)N(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C20H19NO3S/c1-4-24-16-10-8-15(9-11-16)12-18-19(22)21(20(23)25-18)17-7-5-6-13(2)14(17)3/h5-12H,4H2,1-3H3/b18-12-
InChIKeyNOPIGOLAVHZKIX-PDGQHHTCSA-N
MW353.44 g/mol
LogP4.94
Rot. Bonds4

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

(5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18839823) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is (5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18839823
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name(5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\SC(=O)N(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C20H19NO3S/c1-4-24-16-10-8-15(9-11-16)12-18-19(22)21(20(23)25-18)17-7-5-6-13(2)14(17)3/h5-12H,4H2,1-3H3/b18-12-
InChIKeyNOPIGOLAVHZKIX-PDGQHHTCSA-N
XLogP4.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 6532078
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
2-[4-[(E)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 27421446
(5Z)-3-(2,3-dimethylphenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2249646
(5Z)-3-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837510
(5Z)-3-(2,3-dimethylphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839803
3-[4-[(E)-[3-(2-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 27413373
(5Z)-3-(2-ethoxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837460
(5E)-3-(2,3-dimethylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18839786
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(2,3-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839798
(5Z)-3-(4-ethoxyphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18839726
(5Z)-3-(3,4-dichlorophenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840948

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18839823) is (5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCOc1ccc(/C=C2\SC(=O)N(c3cccc(C)c3C)C2=O)cc1.
What is the InChIKey of (5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is NOPIGOLAVHZKIX-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-4-24-16-10-8-15(9-11-16)12-18-19(22)21(20(23)25-18)17-7-5-6-13(2)14(17)3/h5-12H,4H2,1-3H3/b18-12-.
What are the key properties of (5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 353.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18839823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).