N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

C26H28N4O2S — CID 44896323

About N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 44896323) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
• PubChem CID: 44896323
• Molecular Formula: C26H28N4O2S
• Molecular Weight: 460.60 g/mol
• Exact Mass: 460.19
• IUPAC Name: N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
• SMILES: CCOc1ccc2nc(N3CCN(CCNC(=O)c4ccc5ccccc5c4)CC3)sc2c1
• InChI: InChI=1S/C26H28N4O2S/c1-2-32-22-9-10-23-24(18-22)33-26(28-23)30-15-13-29(14-16-30)12-11-27-25(31)21-8-7-19-5-3-4-6-20(19)17-21/h3-10,17-18H,2,11-16H2,1H3,(H,27,31)
• InChIKey: LPHBIIKGVWUYOR-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.60
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (CID 44896323) is N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.

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

The canonical SMILES for N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is CCOc1ccc2nc(N3CCN(CCNC(=O)c4ccc5ccccc5c4)CC3)sc2c1.

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

The InChIKey is LPHBIIKGVWUYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-2-32-22-9-10-23-24(18-22)33-26(28-23)30-15-13-29(14-16-30)12-11-27-25(31)21-8-7-19-5-3-4-6-20(19)17-21/h3-10,17-18H,2,11-16H2,1H3,(H,27,31).

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

N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 44896323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).