(5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one

C24H12Cl2F6N2O2S — CID 18880396

IUPAC(5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\C=C\c2ccco2)S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H12Cl2F6N2O2S/c25-18-8-6-13(11-16(18)23(27,28)29)33-22-34(14-7-9-19(26)17(12-14)24(30,31)32)21(35)20(37-22)5-1-3-15-4-2-10-36-15/h1-12H/b3-1+,20-5+,33-22-
InChIKeyJJSRKRUZOBQREY-SIIHSZJLSA-N
MW577.33 g/mol
LogP8.99
Rot. Bonds4

About (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one

(5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 18880396) has the molecular formula C24H12Cl2F6N2O2S and a molecular weight of 577.33 g/mol. Its IUPAC name is (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID18880396
Molecular FormulaC24H12Cl2F6N2O2S
Molecular Weight577.33 g/mol
Exact Mass575.99
IUPAC Name(5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\C=C\c2ccco2)S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H12Cl2F6N2O2S/c25-18-8-6-13(11-16(18)23(27,28)29)33-22-34(14-7-9-19(26)17(12-14)24(30,31)32)21(35)20(37-22)5-1-3-15-4-2-10-36-15/h1-12H/b3-1+,20-5+,33-22-
InChIKeyJJSRKRUZOBQREY-SIIHSZJLSA-N
XLogP8.99
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.33
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-(4-butylphenyl)-2-(4-butylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 18880393
(5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 6531995
(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18844027
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
CID 18840611
5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4552618
3-(3-fluorophenyl)-5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4273365
(5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840724
(5E)-3-(3-bromophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 34889551
(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843718
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6388341
5-[5-[3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid
CID 4760595
5-[3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3753735

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one (CID 18880396) is (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one is O=C1/C(=C\C=C\c2ccco2)S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is JJSRKRUZOBQREY-SIIHSZJLSA-N. The full InChI is InChI=1S/C24H12Cl2F6N2O2S/c25-18-8-6-13(11-16(18)23(27,28)29)33-22-34(14-7-9-19(26)17(12-14)24(30,31)32)21(35)20(37-22)5-1-3-15-4-2-10-36-15/h1-12H/b3-1+,20-5+,33-22-.
What are the key properties of (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one?
(5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 577.33 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18880396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).