2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide

C21H19Cl2N5O3S — CID 135877657

IUPAC2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\N=C2/NC(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)S2)c1
InChIInChI=1S/C21H19Cl2N5O3S/c1-11(13-5-3-6-14(9-13)24-12(2)29)27-28-21-26-20(31)17(32-21)10-18(30)25-16-8-4-7-15(22)19(16)23/h3-9,17H,10H2,1-2H3,(H,24,29)(H,25,30)(H,26,28,31)/b27-11-/t17-/m1/s1
InChIKeyGIFJEABLMUJUQN-XUEJJAAKSA-N
MW492.39 g/mol
LogP4.29
Rot. Bonds6

About 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide

2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 135877657) has the molecular formula C21H19Cl2N5O3S and a molecular weight of 492.39 g/mol. Its IUPAC name is 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
PubChem CID135877657
Molecular FormulaC21H19Cl2N5O3S
Molecular Weight492.39 g/mol
Exact Mass491.06
IUPAC Name2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\N=C2/NC(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)S2)c1
InChIInChI=1S/C21H19Cl2N5O3S/c1-11(13-5-3-6-14(9-13)24-12(2)29)27-28-21-26-20(31)17(32-21)10-18(30)25-16-8-4-7-15(22)19(16)23/h3-9,17H,10H2,1-2H3,(H,24,29)(H,25,30)(H,26,28,31)/b27-11-/t17-/m1/s1
InChIKeyGIFJEABLMUJUQN-XUEJJAAKSA-N
XLogP4.29
TPSA112.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.39
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2Z)-2-[(E)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135422589
2-[(2Z)-2-[(E)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135408375
2-[(2E,5S)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
CID 135659652
4-[[2-[(2E,5S)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 135933076
N-(2,3-dichlorophenyl)-2-[2-[1-(4-nitrophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135543418
N-(3-acetylphenyl)-2-[(2Z)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135426361
N-(3-acetylphenyl)-2-[(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135408374
2-[(2E,5R)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135934467
2-[(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135667456
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135691982
N-(2-bromophenyl)-2-[(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135747373
N-(2,3-dimethylphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828395

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide (CID 135877657) is 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide is CC(=O)Nc1cccc(/C(C)=N\N=C2/NC(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)S2)c1.
What is the InChIKey of 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is GIFJEABLMUJUQN-XUEJJAAKSA-N. The full InChI is InChI=1S/C21H19Cl2N5O3S/c1-11(13-5-3-6-14(9-13)24-12(2)29)27-28-21-26-20(31)17(32-21)10-18(30)25-16-8-4-7-15(22)19(16)23/h3-9,17H,10H2,1-2H3,(H,24,29)(H,25,30)(H,26,28,31)/b27-11-/t17-/m1/s1.
What are the key properties of 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 492.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 135877657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).