N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

C27H21BrN4O2S — CID 5145891

About N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 5145891) has the molecular formula C27H21BrN4O2S and a molecular weight of 545.46 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 5145891
• Molecular Formula: C27H21BrN4O2S
• Molecular Weight: 545.46 g/mol
• Exact Mass: 544.06
• IUPAC Name: N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
• SMILES: O=C(CC1S/C(=N\c2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1ccccc1Br
• InChI: InChI=1S/C27H21BrN4O2S/c28-21-12-3-4-13-23(21)30-25(33)16-24-26(34)32(17-19-10-5-6-15-29-19)27(35-24)31-22-14-7-9-18-8-1-2-11-20(18)22/h1-15,24H,16-17H2,(H,30,33)/b31-27-
• InChIKey: IZPKWUKUCTXGRQ-QVTSOHHYSA-N
• XLogP: 6.16
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.46
LogP ≤ 5	6.16
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-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (CID 5145891) is N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1ccccc1Br.

What is the InChIKey of N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is IZPKWUKUCTXGRQ-QVTSOHHYSA-N. The full InChI is InChI=1S/C27H21BrN4O2S/c28-21-12-3-4-13-23(21)30-25(33)16-24-26(34)32(17-19-10-5-6-15-29-19)27(35-24)31-22-14-7-9-18-8-1-2-11-20(18)22/h1-15,24H,16-17H2,(H,30,33)/b31-27-.

What are the key properties of N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?

N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 545.46 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 5145891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).