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

C22H23F2N3O3S — CID 42994000

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

N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42994000) has the molecular formula C22H23F2N3O3S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 42994000
• Molecular Formula: C22H23F2N3O3S
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.14
• IUPAC Name: N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: COCCN1C(=O)C(CC(=O)Nc2ccc(F)cc2F)S/C1=N\c1cc(C)ccc1C
• InChI: InChI=1S/C22H23F2N3O3S/c1-13-4-5-14(2)18(10-13)26-22-27(8-9-30-3)21(29)19(31-22)12-20(28)25-17-7-6-15(23)11-16(17)24/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,25,28)/b26-22-
• InChIKey: LNHSJPDLEGINMQ-ROMGYVFFSA-N
• XLogP: 4.19
• 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	447.51
LogP ≤ 5	4.19
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-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 42994000) is N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

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

The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCCN1C(=O)C(CC(=O)Nc2ccc(F)cc2F)S/C1=N\c1cc(C)ccc1C.

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

The InChIKey is LNHSJPDLEGINMQ-ROMGYVFFSA-N. The full InChI is InChI=1S/C22H23F2N3O3S/c1-13-4-5-14(2)18(10-13)26-22-27(8-9-30-3)21(29)19(31-22)12-20(28)25-17-7-6-15(23)11-16(17)24/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,25,28)/b26-22-.

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

N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 447.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42994000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).