N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide

C22H26N4O3S — CID 44896245

About N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide

N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide (PubChem CID 44896245) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide
• PubChem CID: 44896245
• Molecular Formula: C22H26N4O3S
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.17
• IUPAC Name: N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide
• SMILES: COc1ccc2nc(N3CCN(CCNC(=O)COc4ccccc4)CC3)sc2c1
• InChI: InChI=1S/C22H26N4O3S/c1-28-18-7-8-19-20(15-18)30-22(24-19)26-13-11-25(12-14-26)10-9-23-21(27)16-29-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,23,27)
• InChIKey: WVWKMKUKAPMRFG-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide (CID 44896245) is N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide.

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

The canonical SMILES for N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide is COc1ccc2nc(N3CCN(CCNC(=O)COc4ccccc4)CC3)sc2c1.

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

The InChIKey is WVWKMKUKAPMRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-28-18-7-8-19-20(15-18)30-22(24-19)26-13-11-25(12-14-26)10-9-23-21(27)16-29-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,23,27).

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

N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 426.54 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 44896245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).