N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride

C26H36ClN3O2S — CID 44927530

About N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride

N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 44927530) has the molecular formula C26H36ClN3O2S and a molecular weight of 490.11 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride
• PubChem CID: 44927530
• Molecular Formula: C26H36ClN3O2S
• Molecular Weight: 490.11 g/mol
• Exact Mass: 489.22
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride
• SMILES: CCOc1cccc2sc(N(CCN(CC)CC)C(=O)Cc3c(C)cc(C)cc3C)nc12.Cl
• InChI: InChI=1S/C26H35N3O2S.ClH/c1-7-28(8-2)13-14-29(24(30)17-21-19(5)15-18(4)16-20(21)6)26-27-25-22(31-9-3)11-10-12-23(25)32-26;/h10-12,15-16H,7-9,13-14,17H2,1-6H3;1H
• InChIKey: RAHLPGVXCUIWBP-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.11
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 44927530) is N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride is CCOc1cccc2sc(N(CCN(CC)CC)C(=O)Cc3c(C)cc(C)cc3C)nc12.Cl.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride?

The InChIKey is RAHLPGVXCUIWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2S.ClH/c1-7-28(8-2)13-14-29(24(30)17-21-19(5)15-18(4)16-20(21)6)26-27-25-22(31-9-3)11-10-12-23(25)32-26;/h10-12,15-16H,7-9,13-14,17H2,1-6H3;1H.

What are the key properties of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride?

N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 490.11 g/mol, XLogP of 5.96, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 44927530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).