2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide

C20H18Cl2N4O2S — CID 135796453

IUPAC2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CC1S/C(=N/N=Cc2ccc(Cl)cc2Cl)NC1=O
InChIInChI=1S/C20H18Cl2N4O2S/c1-11-4-3-5-12(2)18(11)24-17(27)9-16-19(28)25-20(29-16)26-23-10-13-6-7-14(21)8-15(13)22/h3-8,10,16H,9H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyNNWOKOJFONKJTG-UHFFFAOYSA-N
MW449.36 g/mol
LogP4.56
Rot. Bonds5

About 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide

2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 135796453) has the molecular formula C20H18Cl2N4O2S and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID135796453
Molecular FormulaC20H18Cl2N4O2S
Molecular Weight449.36 g/mol
Exact Mass448.05
IUPAC Name2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CC1S/C(=N/N=Cc2ccc(Cl)cc2Cl)NC1=O
InChIInChI=1S/C20H18Cl2N4O2S/c1-11-4-3-5-12(2)18(11)24-17(27)9-16-19(28)25-20(29-16)26-23-10-13-6-7-14(21)8-15(13)22/h3-8,10,16H,9H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyNNWOKOJFONKJTG-UHFFFAOYSA-N
XLogP4.56
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 54.56
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(2Z,5R)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135913114
2-[(2E)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135645865
2-[2-(1,3-benzodioxol-5-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 135531774
2-[2-[(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135525821
2-[(2E)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135700178
2-[2-[(2-chloro-4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168619906
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135563440
N-(3-chloro-2-methylphenyl)-2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135736524
N-(3-chlorophenyl)-2-[(2E)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135777493
N-(3-chlorophenyl)-2-[2-[(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135452196
N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135599521
N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135665531

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide (CID 135796453) is 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CC1S/C(=N/N=Cc2ccc(Cl)cc2Cl)NC1=O.
What is the InChIKey of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is NNWOKOJFONKJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2S/c1-11-4-3-5-12(2)18(11)24-17(27)9-16-19(28)25-20(29-16)26-23-10-13-6-7-14(21)8-15(13)22/h3-8,10,16H,9H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 449.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 135796453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).