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

C23H25NO4S — CID 18836892

IUPAC(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCCCOc1ccc(/C=C2\SC(=O)N(c3ccccc3CC)C2=O)cc1OC
InChIInChI=1S/C23H25NO4S/c1-4-6-13-28-19-12-11-16(14-20(19)27-3)15-21-22(25)24(23(26)29-21)18-10-8-7-9-17(18)5-2/h7-12,14-15H,4-6,13H2,1-3H3/b21-15-
InChIKeyZPNIEQVAVDGVSY-QNGOZBTKSA-N
MW411.52 g/mol
LogP5.68
Rot. Bonds8

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

(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18836892) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18836892
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC Name(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCCCOc1ccc(/C=C2\SC(=O)N(c3ccccc3CC)C2=O)cc1OC
InChIInChI=1S/C23H25NO4S/c1-4-6-13-28-19-12-11-16(14-20(19)27-3)15-21-22(25)24(23(26)29-21)18-10-8-7-9-17(18)5-2/h7-12,14-15H,4-6,13H2,1-3H3/b21-15-
InChIKeyZPNIEQVAVDGVSY-QNGOZBTKSA-N
XLogP5.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.52
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-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-butoxy-3-methoxyphenyl)methylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840062
(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 124653534
3-[4-[(E)-[3-(2-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 27418580
(5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126354271
(5Z)-3-(2-methoxyphenyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126079101
2-[2-ethoxy-4-[(E)-[3-(2-ethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 27421515
(5Z)-3-(4-butylphenyl)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837095
(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126355629
(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126066848
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528239
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837482
(5Z)-3-[(3-bromophenyl)methyl]-5-[(4-butoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126159573

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione (CID 18836892) is (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione is CCCCOc1ccc(/C=C2\SC(=O)N(c3ccccc3CC)C2=O)cc1OC.
What is the InChIKey of (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is ZPNIEQVAVDGVSY-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-4-6-13-28-19-12-11-16(14-20(19)27-3)15-21-22(25)24(23(26)29-21)18-10-8-7-9-17(18)5-2/h7-12,14-15H,4-6,13H2,1-3H3/b21-15-.
What are the key properties of (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 411.52 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).