2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

C19H19N3O3S — CID 135537406

IUPAC2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccccc1/N=C1\NC(=O)C(CC(=O)Nc2ccccc2C)S1
InChIInChI=1S/C19H19N3O3S/c1-12-7-3-4-8-13(12)20-17(23)11-16-18(24)22-19(26-16)21-14-9-5-6-10-15(14)25-2/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyVXEIOZYCPNKWIM-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.25
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 135537406) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID135537406
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccccc1/N=C1\NC(=O)C(CC(=O)Nc2ccccc2C)S1
InChIInChI=1S/C19H19N3O3S/c1-12-7-3-4-8-13(12)20-17(23)11-16-18(24)22-19(26-16)21-14-9-5-6-10-15(14)25-2/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyVXEIOZYCPNKWIM-UHFFFAOYSA-N
XLogP3.25
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135692137
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691540
N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691558
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692169
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692170
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135725287
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135691940
2-[(2E,5S)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692248
N-(2-methylphenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618436
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692146

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 135537406) is 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is COc1ccccc1/N=C1\NC(=O)C(CC(=O)Nc2ccccc2C)S1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is VXEIOZYCPNKWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-7-3-4-8-13(12)20-17(23)11-16-18(24)22-19(26-16)21-14-9-5-6-10-15(14)25-2/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 135537406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).