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

C22H24BrN3O2S — CID 2371292

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

N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 2371292) has the molecular formula C22H24BrN3O2S and a molecular weight of 474.42 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 2371292
• Molecular Formula: C22H24BrN3O2S
• Molecular Weight: 474.42 g/mol
• Exact Mass: 473.08
• IUPAC Name: N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: Cc1cccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)c1
• InChI: InChI=1S/C22H24BrN3O2S/c1-14(2)13-26-21(28)19(12-20(27)25-18-10-5-4-9-17(18)23)29-22(26)24-16-8-6-7-15(3)11-16/h4-11,14,19H,12-13H2,1-3H3,(H,25,27)/b24-22-/t19-/m1/s1
• InChIKey: AVEJSHRQBYPZNQ-MAVBTGMRSA-N
• XLogP: 5.37
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.42
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 2371292) is N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

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

The canonical SMILES for N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1cccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)c1.

What is the InChIKey of N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is AVEJSHRQBYPZNQ-MAVBTGMRSA-N. The full InChI is InChI=1S/C22H24BrN3O2S/c1-14(2)13-26-21(28)19(12-20(27)25-18-10-5-4-9-17(18)23)29-22(26)24-16-8-6-7-15(3)11-16/h4-11,14,19H,12-13H2,1-3H3,(H,25,27)/b24-22-/t19-/m1/s1.

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

N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 474.42 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 2371292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).