N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride

C24H32ClN3O2S — CID 44925298

About N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride

N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride (PubChem CID 44925298) has the molecular formula C24H32ClN3O2S and a molecular weight of 462.06 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride
• PubChem CID: 44925298
• Molecular Formula: C24H32ClN3O2S
• Molecular Weight: 462.06 g/mol
• Exact Mass: 461.19
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride
• SMILES: CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3cc(C)ccc3C)sc2c1.Cl
• InChI: InChI=1S/C24H31N3O2S.ClH/c1-6-26(7-2)13-14-27(23(28)20-15-17(4)9-10-18(20)5)24-25-21-12-11-19(29-8-3)16-22(21)30-24;/h9-12,15-16H,6-8,13-14H2,1-5H3;1H
• InChIKey: PYWXTHAKUDJZHI-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.06
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride (CID 44925298) is N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride is CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3cc(C)ccc3C)sc2c1.Cl.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride?

The InChIKey is PYWXTHAKUDJZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S.ClH/c1-6-26(7-2)13-14-27(23(28)20-15-17(4)9-10-18(20)5)24-25-21-12-11-19(29-8-3)16-22(21)30-24;/h9-12,15-16H,6-8,13-14H2,1-5H3;1H.

What are the key properties of N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride?

N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride has a molecular weight of 462.06 g/mol, XLogP of 5.72, 9 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-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 44925298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).