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

C21H22N4O2S — CID 135755227

IUPACN-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)cc3C)S2)cc1
InChIInChI=1S/C21H22N4O2S/c1-13-4-7-16(8-5-13)12-22-25-21-24-20(27)18(28-21)11-19(26)23-17-9-6-14(2)10-15(17)3/h4-10,12,18H,11H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyNQAOTESHJFAYHL-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.56
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135755227) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135755227
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)cc3C)S2)cc1
InChIInChI=1S/C21H22N4O2S/c1-13-4-7-16(8-5-13)12-22-25-21-24-20(27)18(28-21)11-19(26)23-17-9-6-14(2)10-15(17)3/h4-10,12,18H,11H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyNQAOTESHJFAYHL-UHFFFAOYSA-N
XLogP3.56
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.56
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'}

Analyze N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide 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-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide
CID 135442310
N-(2,4-dimethylphenyl)-2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136666637
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135563440
2-[(2E,5S)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692248
2-[(2E)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135500801
2-[(2E)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135700178
N-(2,4-dimethylphenyl)-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691482
2-[(2Z)-2-[(E)-(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135488409
2-[(2E)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135640980
2-[4-[(Z)-[(Z)-[(5S)-5-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
CID 136802950
2-[(2Z,5R)-2-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 136802949
N-(2-chlorophenyl)-2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135563441

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135755227) is N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)cc3C)S2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is NQAOTESHJFAYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-13-4-7-16(8-5-13)12-22-25-21-24-20(27)18(28-21)11-19(26)23-17-9-6-14(2)10-15(17)3/h4-10,12,18H,11H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135755227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).