2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one

C19H18BrN3O2S — CID 172918418

IUPAC2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1SC(=N/N=C(/COc2ccccc2)c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C19H18BrN3O2S/c1-2-17-18(24)21-19(26-17)23-22-16(13-8-10-14(20)11-9-13)12-25-15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3,(H,21,23,24)/b22-16-
InChIKeyZCPTUDADVBGRTC-JWGURIENSA-N
MW432.34 g/mol
LogP4.23
Rot. Bonds6

About 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one

2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one (PubChem CID 172918418) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
PubChem CID172918418
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC Name2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1SC(=N/N=C(/COc2ccccc2)c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C19H18BrN3O2S/c1-2-17-18(24)21-19(26-17)23-22-16(13-8-10-14(20)11-9-13)12-25-15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3,(H,21,23,24)/b22-16-
InChIKeyZCPTUDADVBGRTC-JWGURIENSA-N
XLogP4.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.23
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 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-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)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135935784
5-[(4-bromophenyl)methyl]-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135502494
(2E,5S)-5-[(4-bromophenyl)methyl]-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135749689
2-[(2Z,5R)-2-[(E)-1-(4-ethoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136714328
(2Z,5S)-5-[(4-bromophenyl)methyl]-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135920461
N-(4-ethoxyphenyl)-2-[(2Z,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136661837
(2Z,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136869245
2-[(2Z,5R)-4-oxo-2-[(Z)-1-(4-propoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetate
CID 135611303
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136678559
2-[4-[[[5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
CID 135518545
N-(4-ethoxyphenyl)-2-[2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135448091

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one (CID 172918418) is 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one is CCC1SC(=N/N=C(/COc2ccccc2)c2ccc(Br)cc2)NC1=O.
What is the InChIKey of 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The InChIKey is ZCPTUDADVBGRTC-JWGURIENSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c1-2-17-18(24)21-19(26-17)23-22-16(13-8-10-14(20)11-9-13)12-25-15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3,(H,21,23,24)/b22-16-.
What are the key properties of 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one has a molecular weight of 432.34 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 172918418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).