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

C19H18FN3OS — CID 135473284

IUPAC(2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1)c1ccc(C)cc1
InChIInChI=1S/C19H18FN3OS/c1-12-3-7-15(8-4-12)13(2)22-23-19-21-18(24)17(25-19)11-14-5-9-16(20)10-6-14/h3-10,17H,11H2,1-2H3,(H,21,23,24)/b22-13-
InChIKeyUXIMQZQPEJIASD-XKZIYDEJSA-N
MW355.44 g/mol
LogP3.69
Rot. Bonds4

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

(2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135473284) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is (2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135473284
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name(2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1)c1ccc(C)cc1
InChIInChI=1S/C19H18FN3OS/c1-12-3-7-15(8-4-12)13(2)22-23-19-21-18(24)17(25-19)11-14-5-9-16(20)10-6-14/h3-10,17H,11H2,1-2H3,(H,21,23,24)/b22-13-
InChIKeyUXIMQZQPEJIASD-XKZIYDEJSA-N
XLogP3.69
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.69
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
3-[(2-methylbenzyl)thio]-6-phenyl-1,2,4-triazin-5(4H)-one
CID 135471690
3-Benzylsulfanyl-6-phenyl-4H-[1,2,4]triazin-5-one
CID 135430115
(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
(2E)-2-[(Z)-1-(4-prop-1-en-2-ylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 145970074
(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 155544540
(2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135509610
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

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135473284) is (2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1)c1ccc(C)cc1.
What is the InChIKey of (2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is UXIMQZQPEJIASD-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-12-3-7-15(8-4-12)13(2)22-23-19-21-18(24)17(25-19)11-14-5-9-16(20)10-6-14/h3-10,17H,11H2,1-2H3,(H,21,23,24)/b22-13-.
What are the key properties of (2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 355.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(4-fluorophenyl)methyl]-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).