2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C23H27N4O2S+ — CID 8005927

About 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 8005927) has the molecular formula C23H27N4O2S+ and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
• PubChem CID: 8005927
• Molecular Formula: C23H27N4O2S+
• Molecular Weight: 423.56 g/mol
• Exact Mass: 423.18
• IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
• SMILES: COc1ccccc1N1CC[NH+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC1
• InChI: InChI=1S/C23H26N4O2S/c1-17-24-20(16-30-17)18-6-5-7-19(14-18)25-23(28)15-26-10-12-27(13-11-26)21-8-3-4-9-22(21)29-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,25,28)/p+1
• InChIKey: UEWSVSIOCBHCKV-UHFFFAOYSA-O
• XLogP: 2.47
• TPSA: 58.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.56
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 8005927) is 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is COc1ccccc1N1CC[NH+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC1.

What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

The InChIKey is UEWSVSIOCBHCKV-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N4O2S/c1-17-24-20(16-30-17)18-6-5-7-19(14-18)25-23(28)15-26-10-12-27(13-11-26)21-8-3-4-9-22(21)29-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,25,28)/p+1.

What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 8005927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).