2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

About 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 4028853) has the molecular formula C23H24F3N3O3S and a molecular weight of 479.52 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name	2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID	4028853
Molecular Formula	C23H24F3N3O3S
Molecular Weight	479.52 g/mol
Exact Mass	479.15
IUPAC Name	2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILES	COCCN1C(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/c1cc(C)ccc1C
InChI	InChI=1S/C23H24F3N3O3S/c1-14-8-9-15(2)18(12-14)28-22-29(10-11-32-3)21(31)19(33-22)13-20(30)27-17-7-5-4-6-16(17)23(24,25)26/h4-9,12,19H,10-11,13H2,1-3H3,(H,27,30)/b28-22+
InChIKey	AKJSPPZCLHSDFK-XAYXJRQQSA-N
XLogP	4.93
TPSA	71.00 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.52
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 4028853) is 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is COCCN1C(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/c1cc(C)ccc1C.

What is the InChIKey of 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The InChIKey is AKJSPPZCLHSDFK-XAYXJRQQSA-N. The full InChI is InChI=1S/C23H24F3N3O3S/c1-14-8-9-15(2)18(12-14)28-22-29(10-11-32-3)21(31)19(33-22)13-20(30)27-17-7-5-4-6-16(17)23(24,25)26/h4-9,12,19H,10-11,13H2,1-3H3,(H,27,30)/b28-22+.

What are the key properties of 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 479.52 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4028853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).