3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C20H10Cl3FN2O2S — CID 4111598

IUPAC3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H10Cl3FN2O2S/c21-14-9-16(23)15(22)8-13(14)17-6-5-12(28-17)7-18-19(27)26(20(25)29-18)11-3-1-10(24)2-4-11/h1-9,25H/b18-7?,25-20-
InChIKeyLOZHNEXCGAVVFD-XTOGTMOASA-N
MW467.74 g/mol
LogP7.10
Rot. Bonds3

About 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 4111598) has the molecular formula C20H10Cl3FN2O2S and a molecular weight of 467.74 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID4111598
Molecular FormulaC20H10Cl3FN2O2S
Molecular Weight467.74 g/mol
Exact Mass465.95
IUPAC Name3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H10Cl3FN2O2S/c21-14-9-16(23)15(22)8-13(14)17-6-5-12(28-17)7-18-19(27)26(20(25)29-18)11-3-1-10(24)2-4-11/h1-9,25H/b18-7?,25-20-
InChIKeyLOZHNEXCGAVVFD-XTOGTMOASA-N
XLogP7.10
TPSA57.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 1360799
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840354
5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2923362
5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3122920
3-(4-chlorophenyl)-2-imino-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 3905569
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 5292653
(5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 1258938
(5Z)-3-(4-chlorophenyl)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124650369
3-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2922254
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
(5Z)-5-benzylidene-3-(3,4-dichlorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633608
4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 16633486

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 4111598) is 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\SC(=Cc2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is LOZHNEXCGAVVFD-XTOGTMOASA-N. The full InChI is InChI=1S/C20H10Cl3FN2O2S/c21-14-9-16(23)15(22)8-13(14)17-6-5-12(28-17)7-18-19(27)26(20(25)29-18)11-3-1-10(24)2-4-11/h1-9,25H/b18-7?,25-20-.
What are the key properties of 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 467.74 g/mol, XLogP of 7.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4111598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).