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

C16H14FN3O2S — CID 5350977

IUPAC(2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/N=C/c2ccco2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H14FN3O2S/c1-2-14-15(21)20(12-7-5-11(17)6-8-12)16(23-14)19-18-10-13-4-3-9-22-13/h3-10,14H,2H2,1H3/b18-10+,19-16+
InChIKeyXCNZYAJNAYUKSU-MXVZNEBHSA-N
MW331.37 g/mol
LogP3.67
Rot. Bonds4

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

(2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 5350977) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is (2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID5350977
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name(2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/N=C/c2ccco2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H14FN3O2S/c1-2-14-15(21)20(12-7-5-11(17)6-8-12)16(23-14)19-18-10-13-4-3-9-22-13/h3-10,14H,2H2,1H3/b18-10+,19-16+
InChIKeyXCNZYAJNAYUKSU-MXVZNEBHSA-N
XLogP3.67
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 6884314
(2E)-5-ethyl-3-[(4-fluorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 17572713
2,5-Dioxo-1-phenyl-3-pyrrolidinyl 2-(2-furylmethylene)hydrazinecarbimidothioate
CID 25250908
(Z)-5-((E)-3-(furan-2-yl)allylidene)-3-phenylthiazolidine-2,4-dione
CID 6376784
N-(4-fluorophenyl)-2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
CID 135521498
2-((E)-2-((E)-(furan-2-ylmethylene)hydrazono)-4-oxothiazolidin-5-yl)-N-phenylacetamide
CID 135455157
5-Benzyl-2-(furan-2-ylmethylene-hydrazono)-3-phenyl-thiazolidin-4-one
CID 5340239
2-(Furan-2-ylmethylene-hydrazono)-5-(3-methyl-benzyl)-3-phenyl-thiazolidin-4-one
CID 5340955
(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6885440
(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 17572608
3-(3-Fluoro-phenyl)-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one
CID 5289772
2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-oxo-N-phenyl-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
CID 135521494

Frequently Asked Questions

What is the IUPAC name of (2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 5350977) is (2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC1S/C(=N/N=C/c2ccco2)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of (2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XCNZYAJNAYUKSU-MXVZNEBHSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-2-14-15(21)20(12-7-5-11(17)6-8-12)16(23-14)19-18-10-13-4-3-9-22-13/h3-10,14H,2H2,1H3/b18-10+,19-16+.
What are the key properties of (2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 331.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5350977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).