N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

C25H28N6OS — CID 90560800

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 90560800) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
• PubChem CID: 90560800
• Molecular Formula: C25H28N6OS
• Molecular Weight: 460.61 g/mol
• Exact Mass: 460.20
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
• SMILES: Cc1ccc2nc(NC(=O)CN3CCN(CCn4ccnc4-c4ccccc4)CC3)sc2c1
• InChI: InChI=1S/C25H28N6OS/c1-19-7-8-21-22(17-19)33-25(27-21)28-23(32)18-30-13-11-29(12-14-30)15-16-31-10-9-26-24(31)20-5-3-2-4-6-20/h2-10,17H,11-16,18H2,1H3,(H,27,28,32)
• InChIKey: LPVFOYMHCPOSCK-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.61
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (CID 90560800) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is Cc1ccc2nc(NC(=O)CN3CCN(CCn4ccnc4-c4ccccc4)CC3)sc2c1.

What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?

The InChIKey is LPVFOYMHCPOSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c1-19-7-8-21-22(17-19)33-25(27-21)28-23(32)18-30-13-11-29(12-14-30)15-16-31-10-9-26-24(31)20-5-3-2-4-6-20/h2-10,17H,11-16,18H2,1H3,(H,27,28,32).

What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 460.61 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 90560800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).