(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione

C22H15Cl2NO4S — CID 18839692

IUPAC(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1
InChIInChI=1S/C22H15Cl2NO4S/c1-2-28-15-6-4-14(5-7-15)25-21(26)20(30-22(25)27)12-16-8-10-19(29-16)17-11-13(23)3-9-18(17)24/h3-12H,2H2,1H3/b20-12+
InChIKeyWTIOXEIFAVCDGL-UDWIEESQSA-N
MW460.34 g/mol
LogP6.89
Rot. Bonds5

About (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione

(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18839692) has the molecular formula C22H15Cl2NO4S and a molecular weight of 460.34 g/mol. Its IUPAC name is (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18839692
Molecular FormulaC22H15Cl2NO4S
Molecular Weight460.34 g/mol
Exact Mass459.01
IUPAC Name(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1
InChIInChI=1S/C22H15Cl2NO4S/c1-2-28-15-6-4-14(5-7-15)25-21(26)20(30-22(25)27)12-16-8-10-19(29-16)17-11-13(23)3-9-18(17)24/h3-12H,2H2,1H3/b20-12+
InChIKeyWTIOXEIFAVCDGL-UDWIEESQSA-N
XLogP6.89
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.34
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837394
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837393
(5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840438
(5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6022754
(5Z)-3-(3,4-dichlorophenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840948
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1272506
4-[(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 22211051
3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1284167
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840354
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18809409
(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 50871047
methyl (2S)-2-[(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126109386

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18839692) is (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is CCOc1ccc(N2C(=O)S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1.
What is the InChIKey of (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is WTIOXEIFAVCDGL-UDWIEESQSA-N. The full InChI is InChI=1S/C22H15Cl2NO4S/c1-2-28-15-6-4-14(5-7-15)25-21(26)20(30-22(25)27)12-16-8-10-19(29-16)17-11-13(23)3-9-18(17)24/h3-12H,2H2,1H3/b20-12+.
What are the key properties of (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 460.34 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18839692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).