(5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione

C17H8Cl2F3NO2S — CID 18840721

IUPAC(5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H8Cl2F3NO2S/c18-10-3-1-2-9(6-10)7-14-15(24)23(16(25)26-14)11-4-5-13(19)12(8-11)17(20,21)22/h1-8H/b14-7-
InChIKeyUAEHZSCILGKUPO-AUWJEWJLSA-N
MW418.22 g/mol
LogP6.25
Rot. Bonds2

About (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione (PubChem CID 18840721) has the molecular formula C17H8Cl2F3NO2S and a molecular weight of 418.22 g/mol. Its IUPAC name is (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
PubChem CID18840721
Molecular FormulaC17H8Cl2F3NO2S
Molecular Weight418.22 g/mol
Exact Mass416.96
IUPAC Name(5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H8Cl2F3NO2S/c18-10-3-1-2-9(6-10)7-14-15(24)23(16(25)26-14)11-4-5-13(19)12(8-11)17(20,21)22/h1-8H/b14-7-
InChIKeyUAEHZSCILGKUPO-AUWJEWJLSA-N
XLogP6.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.22
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840724
(5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840672
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
CID 18840765
3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2861714
5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 1231613
4-[[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763223
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837319
(5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 34552125
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
CID 18840692
(5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-4-octoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840682
(5Z)-3-(4-chlorophenyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840496
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione (CID 18840721) is (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is UAEHZSCILGKUPO-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H8Cl2F3NO2S/c18-10-3-1-2-9(6-10)7-14-15(24)23(16(25)26-14)11-4-5-13(19)12(8-11)17(20,21)22/h1-8H/b14-7-.
What are the key properties of (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 418.22 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-chlorophenyl)methylidene]-3-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).