(2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

C18H17N3O2S — CID 6887275

IUPAC(2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-16-9-7-15(8-10-16)12-21-17(22)13-24-18(21)20-19-11-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3/b19-11+,20-18+
InChIKeyPTVSIGLSUZUGMF-DSTXHIGZSA-N
MW339.42 g/mol
LogP3.16
Rot. Bonds5

About (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

(2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 6887275) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID6887275
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-16-9-7-15(8-10-16)12-21-17(22)13-24-18(21)20-19-11-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3/b19-11+,20-18+
InChIKeyPTVSIGLSUZUGMF-DSTXHIGZSA-N
XLogP3.16
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.16
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'}

Analyze (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-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

2-(4-Fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
(E)-3-benzyl-2-((E)-(4-methoxybenzylidene)hydrazono)thiazolidin-4-one
CID 5793951
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
CID 17572747
N-(4-methoxybenzyl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio]acetamide
CID 135416764
(E)-3-(4-methoxybenzyl)-2-((E)-(4-methylbenzylidene)hydrazono)-5-propylthiazolidin-4-one
CID 17572397
CID 2860932
CID 2860932
(2Z)-3-benzyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]imino}-1,3-thiazolidin-4-one
CID 6620582
(E)-3-benzyl-2-((E)-(4-methoxybenzylidene)hydrazono)-5-propylthiazolidin-4-one
CID 16412149
(E)-5-butyl-3-(4-methoxybenzyl)-2-((E)-(4-methoxybenzylidene)hydrazono)thiazolidin-4-one
CID 17572355
2-(4-methoxyphenyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1,3-thiazolidin-4-one
CID 145975063
3-Benzyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 2840313
(E)-3-(4-methoxybenzyl)-2-((E)-(thiophen-2-ylmethylene)hydrazono)thiazolidin-4-one
CID 6885132

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 6887275) is (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccccc2)cc1.
What is the InChIKey of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is PTVSIGLSUZUGMF-DSTXHIGZSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-16-9-7-15(8-10-16)12-21-17(22)13-24-18(21)20-19-11-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3/b19-11+,20-18+.
What are the key properties of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 339.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6887275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).