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

C21H12ClF3N2O2S — CID 135782273

IUPAC(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccc(Cl)cc2)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1
InChIInChI=1S/C21H12ClF3N2O2S/c22-14-4-6-15(7-5-14)26-19-18(30-20(28)27-19)11-16-8-9-17(29-16)12-2-1-3-13(10-12)21(23,24)25/h1-11H,(H,26,27,28)/b18-11-
InChIKeyKMKKCKFHTIMGAQ-WQRHYEAKSA-N
MW448.85 g/mol
LogP7.15
Rot. Bonds3

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

(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one (PubChem CID 135782273) has the molecular formula C21H12ClF3N2O2S and a molecular weight of 448.85 g/mol. Its IUPAC name is (5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
PubChem CID135782273
Molecular FormulaC21H12ClF3N2O2S
Molecular Weight448.85 g/mol
Exact Mass448.03
IUPAC Name(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccc(Cl)cc2)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1
InChIInChI=1S/C21H12ClF3N2O2S/c22-14-4-6-15(7-5-14)26-19-18(30-20(28)27-19)11-16-8-9-17(29-16)12-2-1-3-13(10-12)21(23,24)25/h1-11H,(H,26,27,28)/b18-11-
InChIKeyKMKKCKFHTIMGAQ-WQRHYEAKSA-N
XLogP7.15
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.85
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)imino-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135470217
5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135470203
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135782246
(5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126092789
4-chloro-N-[(5Z)-4-oxo-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-ylidene]benzamide
CID 137065320
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135844418
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135487093
(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782430
(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782306
4-[5-[(Z)-[4-(4-fluorophenyl)imino-2-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 135782451
(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(3-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782299
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one (CID 135782273) is (5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one is O=C1NC(=N\c2ccc(Cl)cc2)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1.
What is the InChIKey of (5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one?
The InChIKey is KMKKCKFHTIMGAQ-WQRHYEAKSA-N. The full InChI is InChI=1S/C21H12ClF3N2O2S/c22-14-4-6-15(7-5-14)26-19-18(30-20(28)27-19)11-16-8-9-17(29-16)12-2-1-3-13(10-12)21(23,24)25/h1-11H,(H,26,27,28)/b18-11-.
What are the key properties of (5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one?
(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one has a molecular weight of 448.85 g/mol, XLogP of 7.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135782273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).