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

C20H11Cl3N2O2S — CID 135523477

IUPAC2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Cl)SC1=Cc1ccc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C20H11Cl3N2O2S/c21-12-4-1-2-7-15(12)24-20-25-19(26)17(28-20)10-11-8-9-16(27-11)18-13(22)5-3-6-14(18)23/h1-10H,(H,24,25,26)
InChIKeyWMCOBNAYLPJQBY-UHFFFAOYSA-N
MW449.75 g/mol
LogP6.80
Rot. Bonds3

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

2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135523477) has the molecular formula C20H11Cl3N2O2S and a molecular weight of 449.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135523477
Molecular FormulaC20H11Cl3N2O2S
Molecular Weight449.75 g/mol
Exact Mass447.96
IUPAC Name2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Cl)SC1=Cc1ccc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C20H11Cl3N2O2S/c21-12-4-1-2-7-15(12)24-20-25-19(26)17(28-20)10-11-8-9-16(27-11)18-13(22)5-3-6-14(18)23/h1-10H,(H,24,25,26)
InChIKeyWMCOBNAYLPJQBY-UHFFFAOYSA-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

(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135844672
(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135844693
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135444055
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-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135844492
(2E,5E)-2-[(E)-benzylidenehydrazinylidene]-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135782311
5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135487056
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137044696
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063867
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135507844
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135487098
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 2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 135523477) is 2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2Cl)SC1=Cc1ccc(-c2c(Cl)cccc2Cl)o1.
What is the InChIKey of 2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is WMCOBNAYLPJQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N2O2S/c21-12-4-1-2-7-15(12)24-20-25-19(26)17(28-20)10-11-8-9-16(27-11)18-13(22)5-3-6-14(18)23/h1-10H,(H,24,25,26).
What are the key properties of 2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-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 2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).