(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

C19H15F4N3OS — CID 135473257

IUPAC(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)C(Cc2cccc(C(F)(F)F)c2)S1)c1ccc(F)cc1
InChIInChI=1S/C19H15F4N3OS/c1-11(13-5-7-15(20)8-6-13)25-26-18-24-17(27)16(28-18)10-12-3-2-4-14(9-12)19(21,22)23/h2-9,16H,10H2,1H3,(H,24,26,27)/b25-11+
InChIKeyHNESGQHNJDYMTJ-OPEKNORGSA-N
MW409.41 g/mol
LogP4.40
Rot. Bonds4

About (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135473257) has the molecular formula C19H15F4N3OS and a molecular weight of 409.41 g/mol. Its IUPAC name is (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135473257
Molecular FormulaC19H15F4N3OS
Molecular Weight409.41 g/mol
Exact Mass409.09
IUPAC Name(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)C(Cc2cccc(C(F)(F)F)c2)S1)c1ccc(F)cc1
InChIInChI=1S/C19H15F4N3OS/c1-11(13-5-7-15(20)8-6-13)25-26-18-24-17(27)16(28-18)10-12-3-2-4-14(9-12)19(21,22)23/h2-9,16H,10H2,1H3,(H,24,26,27)/b25-11+
InChIKeyHNESGQHNJDYMTJ-OPEKNORGSA-N
XLogP4.40
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-5-phenyl-1,3-thiazol-4(5H)-one
CID 135650471
CID 137346493
CID 137346493
(Z)-5-benzyl-2-((E)-(1-phenylethylidene)hydrazono)thiazolidin-4-one
CID 135472832
5-Benzyl-1,3-thiazolidine-2,4-dione 2-[(1-methylethylidene)hydrazone]
CID 135817227
5-[3-(Trifluoromethyl)benzyl]-1,3-thiazolidine-2,4-dione 2-{[1-(4-methylphenyl)ethylidene]hydrazone}
CID 135473246
(2E)-2-{(2E)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-5-[3-(trifluoromethyl)benzyl]-1,3-thiazolidin-4-one
CID 135645320
5-(4-Fluorobenzyl)-1,3-thiazolidine-2,4-dione 2-{[1-(4-chlorophenyl)ethylidene]hydrazone}
CID 135473243
5-(4-Chlorobenzyl)-1,3-thiazolidine-2,4-dione 2-{[1-(4-fluorophenyl)ethylidene]hydrazone}
CID 135473260
(Z)-2-((Z)-(1-(p-tolyl)ethylidene)hydrazono)-5-(3-(trifluoromethyl)benzyl)thiazolidin-4-one
CID 135905176
2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 172921197
(2E)-3-Allyl-5-(3-(trifluoromethyl)benzyl)-1,3-thiazolidine-2,4-dione 2-(((E)-1-(4-fluorophenyl)ethylidene)hydrazone)
CID 5761572
(2E)-5-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135458733

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135473257) is (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is C/C(=N\N=C1\NC(=O)C(Cc2cccc(C(F)(F)F)c2)S1)c1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is HNESGQHNJDYMTJ-OPEKNORGSA-N. The full InChI is InChI=1S/C19H15F4N3OS/c1-11(13-5-7-15(20)8-6-13)25-26-18-24-17(27)16(28-18)10-12-3-2-4-14(9-12)19(21,22)23/h2-9,16H,10H2,1H3,(H,24,26,27)/b25-11+.
What are the key properties of (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 409.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).