(5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C18H17FN2O2S — CID 5292876

IUPAC(5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CC
InChIInChI=1S/C18H17FN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-9-10-15(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3/b16-11+,20-18-
InChIKeyHGKSQFRKJTUALD-PDFVYNHPSA-N
MW344.41 g/mol
LogP4.40
Rot. Bonds4

About (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

(5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 5292876) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID5292876
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name(5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CC
InChIInChI=1S/C18H17FN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-9-10-15(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3/b16-11+,20-18-
InChIKeyHGKSQFRKJTUALD-PDFVYNHPSA-N
XLogP4.40
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.40
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

4-Thiazolidinone, 5-((5-phenyl-2-furanyl)methylene)-3-(2-propen-1-yl)-2-thioxo-, (5Z)-
CID 2272467
3-Allyl-5-{[5-(4-fluorophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one
CID 1730612
(E)-2-morpholino-5-((5-(o-tolyl)furan-2-yl)methylene)thiazol-4(5H)-one
CID 1115801
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2324886
(E)-5-((5-(4-fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione
CID 1204893
(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2140739
5-[[5-(4-Fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
2-Thioxo-3-ethyl-5-[5-[2-(trifluoromethyl)phenyl]-2-furylmethylene]thiazolidine-4-one
CID 44366518
(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2140738
Rhodanine, 1-9
CID 44246277
2-Morpholin-4-yl-5-(5-p-tolyl-furan-2-ylmethylene)-thiazol-4-one
CID 1115796
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1129056

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 5292876) is (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is CC/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CC.
What is the InChIKey of (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is HGKSQFRKJTUALD-PDFVYNHPSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-9-10-15(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3/b16-11+,20-18-.
What are the key properties of (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 344.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5292876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).