2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide

C20H16BrN3O3S — CID 137353024

About 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide

2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 137353024) has the molecular formula C20H16BrN3O3S and a molecular weight of 458.34 g/mol. Its IUPAC name is 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 137353024
• Molecular Formula: C20H16BrN3O3S
• Molecular Weight: 458.34 g/mol
• Exact Mass: 457.01
• IUPAC Name: 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: COc1ccccc1C(C(=O)Nc1nccs1)N1Cc2ccc(Br)cc2C1=O
• InChI: InChI=1S/C20H16BrN3O3S/c1-27-16-5-3-2-4-14(16)17(18(25)23-20-22-8-9-28-20)24-11-12-6-7-13(21)10-15(12)19(24)26/h2-10,17H,11H2,1H3,(H,22,23,25)
• InChIKey: JLQDQAZKELSPBN-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.34
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide (CID 137353024) is 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide is COc1ccccc1C(C(=O)Nc1nccs1)N1Cc2ccc(Br)cc2C1=O.

What is the InChIKey of 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is JLQDQAZKELSPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3S/c1-27-16-5-3-2-4-14(16)17(18(25)23-20-22-8-9-28-20)24-11-12-6-7-13(21)10-15(12)19(24)26/h2-10,17H,11H2,1H3,(H,22,23,25).

What are the key properties of 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?

2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 458.34 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 137353024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).