(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione

C17H10F3NO3S — CID 18840611

IUPAC(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F3NO3S/c18-17(19,20)11-4-1-5-12(10-11)21-15(22)14(25-16(21)23)8-2-6-13-7-3-9-24-13/h1-10H/b6-2+,14-8+
InChIKeyWCXQTXIUDLWVQJ-BOAPOFAJSA-N
MW365.33 g/mol
LogP5.10
Rot. Bonds3

About (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione

(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione (PubChem CID 18840611) has the molecular formula C17H10F3NO3S and a molecular weight of 365.33 g/mol. Its IUPAC name is (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
PubChem CID18840611
Molecular FormulaC17H10F3NO3S
Molecular Weight365.33 g/mol
Exact Mass365.03
IUPAC Name(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F3NO3S/c18-17(19,20)11-4-1-5-12(10-11)21-15(22)14(25-16(21)23)8-2-6-13-7-3-9-24-13/h1-10H/b6-2+,14-8+
InChIKeyWCXQTXIUDLWVQJ-BOAPOFAJSA-N
XLogP5.10
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.33
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 6531995
3-(3-fluorophenyl)-5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4273365
5-(furan-2-ylmethylidene)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 1356617
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6388341
(5E)-3-(3-bromophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 34889551
(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 18836923
(5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 1318222
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
CID 18840568
(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
5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1279205
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)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione (CID 18840611) is (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is WCXQTXIUDLWVQJ-BOAPOFAJSA-N. The full InChI is InChI=1S/C17H10F3NO3S/c18-17(19,20)11-4-1-5-12(10-11)21-15(22)14(25-16(21)23)8-2-6-13-7-3-9-24-13/h1-10H/b6-2+,14-8+.
What are the key properties of (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 365.33 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).