(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one

C20H11Cl3N2O2S — CID 137044696

IUPAC(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H11Cl3N2O2S/c21-12-6-4-11(5-7-12)16-9-8-13(27-16)10-17-19(26)25-20(28-17)24-15-3-1-2-14(22)18(15)23/h1-10H,(H,24,25,26)/b17-10-
InChIKeyLFVBTYHVGBVYBG-YVLHZVERSA-N
MW449.75 g/mol
LogP6.80
Rot. Bonds3

About (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137044696) has the molecular formula C20H11Cl3N2O2S and a molecular weight of 449.75 g/mol. Its IUPAC name is (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID137044696
Molecular FormulaC20H11Cl3N2O2S
Molecular Weight449.75 g/mol
Exact Mass447.96
IUPAC Name(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H11Cl3N2O2S/c21-12-6-4-11(5-7-12)16-9-8-13(27-16)10-17-19(26)25-20(28-17)24-15-3-1-2-14(22)18(15)23/h1-10H,(H,24,25,26)/b17-10-
InChIKeyLFVBTYHVGBVYBG-YVLHZVERSA-N
XLogP6.80
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.75
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135444055
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135487098
(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137051105
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135844492
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135512915
2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135523477
2-(4-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135523478
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135844502
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089507
(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135844693
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063867
methyl 2-[5-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 137079862

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one (CID 137044696) is (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is LFVBTYHVGBVYBG-YVLHZVERSA-N. The full InChI is InChI=1S/C20H11Cl3N2O2S/c21-12-6-4-11(5-7-12)16-9-8-13(27-16)10-17-19(26)25-20(28-17)24-15-3-1-2-14(22)18(15)23/h1-10H,(H,24,25,26)/b17-10-.
What are the key properties of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 449.75 g/mol, XLogP of 6.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137044696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).