(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one

C20H10Cl4N2O2S — CID 135844693

IUPAC(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C20H10Cl4N2O2S/c21-10-4-6-15(14(24)8-10)25-20-26-19(27)17(29-20)9-11-5-7-16(28-11)18-12(22)2-1-3-13(18)23/h1-9H,(H,25,26,27)/b17-9+
InChIKeySJFBXWZRMLNKNM-RQZCQDPDSA-N
MW484.19 g/mol
LogP7.45
Rot. Bonds3

About (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135844693) has the molecular formula C20H10Cl4N2O2S and a molecular weight of 484.19 g/mol. Its IUPAC name is (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135844693
Molecular FormulaC20H10Cl4N2O2S
Molecular Weight484.19 g/mol
Exact Mass481.92
IUPAC Name(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C20H10Cl4N2O2S/c21-10-4-6-15(14(24)8-10)25-20-26-19(27)17(29-20)9-11-5-7-16(28-11)18-12(22)2-1-3-13(18)23/h1-9H,(H,25,26,27)/b17-9+
InChIKeySJFBXWZRMLNKNM-RQZCQDPDSA-N
XLogP7.45
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.19
LogP ≤ 57.45
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

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-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135844672
(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
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137044696
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135844429
(2E,5E)-2-[(E)-benzylidenehydrazinylidene]-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135782311
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135844492
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137166659
2-(4-chlorophenyl)imino-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135487116

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one (CID 135844693) is (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1.
What is the InChIKey of (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is SJFBXWZRMLNKNM-RQZCQDPDSA-N. The full InChI is InChI=1S/C20H10Cl4N2O2S/c21-10-4-6-15(14(24)8-10)25-20-26-19(27)17(29-20)9-11-5-7-16(28-11)18-12(22)2-1-3-13(18)23/h1-9H,(H,25,26,27)/b17-9+.
What are the key properties of (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 484.19 g/mol, XLogP of 7.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135844693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).