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

C22H13Cl2NO4S — CID 2286514

IUPAC(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O)c1ccccc1
InChIInChI=1S/C22H13Cl2NO4S/c23-14-6-8-16(17(24)10-14)19-9-7-15(29-19)11-20-21(27)25(22(28)30-20)12-18(26)13-4-2-1-3-5-13/h1-11H,12H2/b20-11-
InChIKeyFCQHZVZAUCIRIJ-JAIQZWGSSA-N
MW458.32 g/mol
LogP6.17
Rot. Bonds5

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

(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (PubChem CID 2286514) has the molecular formula C22H13Cl2NO4S and a molecular weight of 458.32 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
PubChem CID2286514
Molecular FormulaC22H13Cl2NO4S
Molecular Weight458.32 g/mol
Exact Mass456.99
IUPAC Name(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O)c1ccccc1
InChIInChI=1S/C22H13Cl2NO4S/c23-14-6-8-16(17(24)10-14)19-9-7-15(29-19)11-20-21(27)25(22(28)30-20)12-18(26)13-4-2-1-3-5-13/h1-11H,12H2/b20-11-
InChIKeyFCQHZVZAUCIRIJ-JAIQZWGSSA-N
XLogP6.17
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.32
LogP ≤ 56.17
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (CID 2286514) is (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O)c1ccccc1.
What is the InChIKey of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The InChIKey is FCQHZVZAUCIRIJ-JAIQZWGSSA-N. The full InChI is InChI=1S/C22H13Cl2NO4S/c23-14-6-8-16(17(24)10-14)19-9-7-15(29-19)11-20-21(27)25(22(28)30-20)12-18(26)13-4-2-1-3-5-13/h1-11H,12H2/b20-11-.
What are the key properties of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione has a molecular weight of 458.32 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2286514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).