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

C20H18F3N3OS — CID 135473246

IUPAC(2E)-2-[(Z)-1-(4-methylphenyl)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(C)cc1
InChIInChI=1S/C20H18F3N3OS/c1-12-6-8-15(9-7-12)13(2)25-26-19-24-18(27)17(28-19)11-14-4-3-5-16(10-14)20(21,22)23/h3-10,17H,11H2,1-2H3,(H,24,26,27)/b25-13-
InChIKeyFRUACNLALPTUFJ-MXAYSNPKSA-N
MW405.45 g/mol
LogP4.57
Rot. Bonds4

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

(2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135473246) has the molecular formula C20H18F3N3OS and a molecular weight of 405.45 g/mol. Its IUPAC name is (2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135473246
Molecular FormulaC20H18F3N3OS
Molecular Weight405.45 g/mol
Exact Mass405.11
IUPAC Name(2E)-2-[(Z)-1-(4-methylphenyl)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(C)cc1
InChIInChI=1S/C20H18F3N3OS/c1-12-6-8-15(9-7-12)13(2)25-26-19-24-18(27)17(28-19)11-14-4-3-5-16(10-14)20(21,22)23/h3-10,17H,11H2,1-2H3,(H,24,26,27)/b25-13-
InChIKeyFRUACNLALPTUFJ-MXAYSNPKSA-N
XLogP4.57
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.57
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

(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
(2E)-2-{(2E)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-5-[3-(trifluoromethyl)benzyl]-1,3-thiazolidin-4-one
CID 135645320
(Z)-2-((Z)-(1-(p-tolyl)ethylidene)hydrazono)-5-(3-(trifluoromethyl)benzyl)thiazolidin-4-one
CID 135905176
(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
(2E)-2-[(2E)-(2-fluorobenzylidene)hydrazinylidene]-5-(2-methylbenzyl)-1,3-thiazolidin-4-one
CID 135438807
5-Benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135461613
(2E)-2-[(2E)-benzylidenehydrazinylidene]-5-(4-fluorobenzyl)-1,3-thiazolidin-4-one
CID 135473242
5-[3-(Trifluoromethyl)benzyl]-1,3-thiazolidine-2,4-dione 2-{[1-(4-fluorophenyl)ethylidene]hydrazone}
CID 135473257
5-(4-Fluorobenzyl)-1,3-thiazolidine-2,4-dione 2-{[1-(4-methylphenyl)ethylidene]hydrazone}
CID 135473284
6-[(4-tert-butylphenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one
CID 135910107

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135473246) is (2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-1-(4-methylphenyl)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(C)cc1.
What is the InChIKey of (2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is FRUACNLALPTUFJ-MXAYSNPKSA-N. The full InChI is InChI=1S/C20H18F3N3OS/c1-12-6-8-15(9-7-12)13(2)25-26-19-24-18(27)17(28-19)11-14-4-3-5-16(10-14)20(21,22)23/h3-10,17H,11H2,1-2H3,(H,24,26,27)/b25-13-.
What are the key properties of (2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 405.45 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).