3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C25H19Cl2NO4S — CID 3636598

IUPAC3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2NO4S/c26-19-11-10-18(21(27)15-19)16-28-24(29)23(33-25(28)30)14-17-6-4-5-9-22(17)32-13-12-31-20-7-2-1-3-8-20/h1-11,14-15H,12-13,16H2
InChIKeyABPAPWRXDXEBME-UHFFFAOYSA-N
MW500.40 g/mol
LogP6.69
Rot. Bonds8

About 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 3636598) has the molecular formula C25H19Cl2NO4S and a molecular weight of 500.40 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID3636598
Molecular FormulaC25H19Cl2NO4S
Molecular Weight500.40 g/mol
Exact Mass499.04
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2NO4S/c26-19-11-10-18(21(27)15-19)16-28-24(29)23(33-25(28)30)14-17-6-4-5-9-22(17)32-13-12-31-20-7-2-1-3-8-20/h1-11,14-15H,12-13,16H2
InChIKeyABPAPWRXDXEBME-UHFFFAOYSA-N
XLogP6.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.40
LogP ≤ 56.69
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 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-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

2-[2-[(E)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 124664709
(5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124667783
(5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124667741
(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124664513
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124668446
(5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124665294
3-[2-[(E)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 27418085
(5Z)-3-butyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126068806
2-[5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 3583817
butyl 2-[(5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 126214828
2-[2-[(E)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 124667608
(5Z)-5-[[5-bromo-1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126129748

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 3636598) is 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1SC(=Cc2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ABPAPWRXDXEBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO4S/c26-19-11-10-18(21(27)15-19)16-28-24(29)23(33-25(28)30)14-17-6-4-5-9-22(17)32-13-12-31-20-7-2-1-3-8-20/h1-11,14-15H,12-13,16H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 500.40 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3636598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).