(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one

C17H18FN3O2S — CID 155544540

IUPAC(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c18-12-8-6-11(7-9-12)14(22)10-15-16(23)19-17(24-15)21-20-13-4-2-1-3-5-13/h6-9,15H,1-5,10H2,(H,19,21,23)
InChIKeyORWYQUABVSWBLJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.31
Rot. Bonds4

About (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one

(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 155544540) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID155544540
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c18-12-8-6-11(7-9-12)14(22)10-15-16(23)19-17(24-15)21-20-13-4-2-1-3-5-13/h6-9,15H,1-5,10H2,(H,19,21,23)
InChIKeyORWYQUABVSWBLJ-UHFFFAOYSA-N
XLogP3.31
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
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'}

Analyze (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135836535
(Z)-5-benzyl-2-((E)-(1-phenylethylidene)hydrazono)thiazolidin-4-one
CID 135472832
6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one
CID 135445824
(E)-5-(2-(4-fluorophenyl)-2-oxoethyl)-2-((E)-(4-oxothiazolidin-2-ylidene)hydrazono)thiazolidin-4-one
CID 135878149
(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 137837169
(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 155511131
(2Z,5S)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135956753
2-Imino-5-phenacyl-1,3-thiazolidin-4-one
CID 138978177
5-(4-Fluorobenzyl)-1,3-thiazolidine-2,4-dione 2-{[1-(4-methylphenyl)ethylidene]hydrazone}
CID 135473284
3-((4-(4-fluorobenzoyl)benzyl)thio)-6-methyl-1,2,4-triazin-5(2H)-one
CID 135483455
5-[2-(4-Fluorophenyl)-2-oxoethyl]-2-[2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl idene)-1,2-diazaethylidene]-1,3-thiazolidin-4-one
CID 136205355
5-[[3-(4-Fluorobenzoyl)phenyl]methyl]-2-imino-1,3-thiazolidin-4-one
CID 172694801

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 155544540) is (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is O=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)c1ccc(F)cc1.
What is the InChIKey of (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is ORWYQUABVSWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-12-8-6-11(7-9-12)14(22)10-15-16(23)19-17(24-15)21-20-13-4-2-1-3-5-13/h6-9,15H,1-5,10H2,(H,19,21,23).
What are the key properties of (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155544540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).