N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C24H26BrFN4O3S — CID 3999051

About N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3999051) has the molecular formula C24H26BrFN4O3S and a molecular weight of 549.47 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 3999051
• Molecular Formula: C24H26BrFN4O3S
• Molecular Weight: 549.47 g/mol
• Exact Mass: 548.09
• IUPAC Name: N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: O=C(CC1S/C(=N\c2ccccc2F)N(CCCN2CCOCC2)C1=O)Nc1ccccc1Br
• InChI: InChI=1S/C24H26BrFN4O3S/c25-17-6-1-3-8-19(17)27-22(31)16-21-23(32)30(11-5-10-29-12-14-33-15-13-29)24(34-21)28-20-9-4-2-7-18(20)26/h1-4,6-9,21H,5,10-16H2,(H,27,31)/b28-24-
• InChIKey: AXYZSCXQQMCFKY-COOPMVRXSA-N
• XLogP: 4.27
• TPSA: 74.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.47
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 3999051) is N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

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

The canonical SMILES for N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2ccccc2F)N(CCCN2CCOCC2)C1=O)Nc1ccccc1Br.

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

The InChIKey is AXYZSCXQQMCFKY-COOPMVRXSA-N. The full InChI is InChI=1S/C24H26BrFN4O3S/c25-17-6-1-3-8-19(17)27-22(31)16-21-23(32)30(11-5-10-29-12-14-33-15-13-29)24(34-21)28-20-9-4-2-7-18(20)26/h1-4,6-9,21H,5,10-16H2,(H,27,31)/b28-24-.

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

N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 549.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3999051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).