(5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

C16H9ClFNO3S — CID 6531995

IUPAC(5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H9ClFNO3S/c17-12-9-10(6-7-13(12)18)19-15(20)14(23-16(19)21)5-1-3-11-4-2-8-22-11/h1-9H/b3-1+,14-5-
InChIKeyJXEHMAVQWZBUCK-NQDFZQDQSA-N
MW349.77 g/mol
LogP4.87
Rot. Bonds3

About (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6531995) has the molecular formula C16H9ClFNO3S and a molecular weight of 349.77 g/mol. Its IUPAC name is (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6531995
Molecular FormulaC16H9ClFNO3S
Molecular Weight349.77 g/mol
Exact Mass349.00
IUPAC Name(5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H9ClFNO3S/c17-12-9-10(6-7-13(12)18)19-15(20)14(23-16(19)21)5-1-3-11-4-2-8-22-11/h1-9H/b3-1+,14-5-
InChIKeyJXEHMAVQWZBUCK-NQDFZQDQSA-N
XLogP4.87
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.87
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

(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
CID 18840611
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6388341
3-(3-fluorophenyl)-5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4273365
(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
(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 18836923
(5E)-3-(3-bromophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 34889551
(5E)-1-(3-chloro-4-methylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 2300583
1-(3-chloro-4-methylphenyl)-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 1329965
5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1279205
5-[3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3753735
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
2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 135399272

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (CID 6531995) is (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is JXEHMAVQWZBUCK-NQDFZQDQSA-N. The full InChI is InChI=1S/C16H9ClFNO3S/c17-12-9-10(6-7-13(12)18)19-15(20)14(23-16(19)21)5-1-3-11-4-2-8-22-11/h1-9H/b3-1+,14-5-.
What are the key properties of (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 349.77 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6531995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).