2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide

C20H16Cl2N4O2S — CID 135512674

IUPAC2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CC1SC(=NN=CC=Cc2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N4O2S/c21-15-9-8-14(11-16(15)22)24-18(27)12-17-19(28)25-20(29-17)26-23-10-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2,(H,24,27)(H,25,26,28)
InChIKeyZVFZCPZCPHBJJD-UHFFFAOYSA-N
MW447.35 g/mol
LogP4.61
Rot. Bonds6

About 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide

2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 135512674) has the molecular formula C20H16Cl2N4O2S and a molecular weight of 447.35 g/mol. Its IUPAC name is 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID135512674
Molecular FormulaC20H16Cl2N4O2S
Molecular Weight447.35 g/mol
Exact Mass446.04
IUPAC Name2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CC1SC(=NN=CC=Cc2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N4O2S/c21-15-9-8-14(11-16(15)22)24-18(27)12-17-19(28)25-20(29-17)26-23-10-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2,(H,24,27)(H,25,26,28)
InChIKeyZVFZCPZCPHBJJD-UHFFFAOYSA-N
XLogP4.61
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135526738
N-(4-chlorophenyl)-2-[(2Z,5R)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 136822684
2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 136769028
2-[(2E,5R)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136829914
2-[(2E)-2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135588756
N-(3-acetylphenyl)-2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135452064
N-(4-nitrophenyl)-2-[(2Z)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 155553599
N-(4-ethoxyphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135827805
N-(2-methylphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135852298
2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 135521421
2-[[2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]acetic acid
CID 135435276
N-(3,4-dichlorophenyl)-2-[4-oxo-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135430101

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide (CID 135512674) is 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide is O=C(CC1SC(=NN=CC=Cc2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is ZVFZCPZCPHBJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2S/c21-15-9-8-14(11-16(15)22)24-18(27)12-17-19(28)25-20(29-17)26-23-10-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2,(H,24,27)(H,25,26,28).
What are the key properties of 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide?
2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 447.35 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 135512674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).