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

C24H29N3O3S — CID 42994108

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

N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42994108) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 42994108
• Molecular Formula: C24H29N3O3S
• Molecular Weight: 439.58 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: COCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(C)cc(C)c1
• InChI: InChI=1S/C24H29N3O3S/c1-15-6-7-18(4)20(13-15)26-22(28)14-21-23(29)27(8-9-30-5)24(31-21)25-19-11-16(2)10-17(3)12-19/h6-7,10-13,21H,8-9,14H2,1-5H3,(H,26,28)/b25-24-
• InChIKey: QCOJAXHFKKUHKS-IZHYLOQSSA-N
• XLogP: 4.53
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.58
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 42994108) is N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

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

The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(C)cc(C)c1.

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

The InChIKey is QCOJAXHFKKUHKS-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-15-6-7-18(4)20(13-15)26-22(28)14-21-23(29)27(8-9-30-5)24(31-21)25-19-11-16(2)10-17(3)12-19/h6-7,10-13,21H,8-9,14H2,1-5H3,(H,26,28)/b25-24-.

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

N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 439.58 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42994108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).