2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

C22H24BrN3O2S — CID 17436287

About 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 17436287) has the molecular formula C22H24BrN3O2S and a molecular weight of 474.42 g/mol. Its IUPAC name is 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
• PubChem CID: 17436287
• Molecular Formula: C22H24BrN3O2S
• Molecular Weight: 474.42 g/mol
• Exact Mass: 473.08
• IUPAC Name: 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
• SMILES: COc1ccc(Br)cc1CN(C)Cc1csc(CC(=O)Nc2ccccc2C)n1
• InChI: InChI=1S/C22H24BrN3O2S/c1-15-6-4-5-7-19(15)25-21(27)11-22-24-18(14-29-22)13-26(2)12-16-10-17(23)8-9-20(16)28-3/h4-10,14H,11-13H2,1-3H3,(H,25,27)
• InChIKey: NODUXAOVQIMZEU-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.42
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?

The IUPAC name of 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 17436287) is 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

What is the SMILES notation for 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?

The canonical SMILES for 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is COc1ccc(Br)cc1CN(C)Cc1csc(CC(=O)Nc2ccccc2C)n1.

What is the InChIKey of 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?

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

What are the key properties of 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?

2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 474.42 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 17436287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).