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

C24H32ClN3OS — CID 44925756

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

N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride (PubChem CID 44925756) has the molecular formula C24H32ClN3OS and a molecular weight of 446.06 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride
• PubChem CID: 44925756
• Molecular Formula: C24H32ClN3OS
• Molecular Weight: 446.06 g/mol
• Exact Mass: 445.20
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride
• SMILES: CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(C)cc3C)sc2c1.Cl
• InChI: InChI=1S/C24H31N3OS.ClH/c1-6-19-10-12-21-22(16-19)29-24(25-21)27(14-13-26(7-2)8-3)23(28)20-11-9-17(4)15-18(20)5;/h9-12,15-16H,6-8,13-14H2,1-5H3;1H
• InChIKey: HJFMCLBCSJZDSP-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.06
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride (CID 44925756) is N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride is CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(C)cc3C)sc2c1.Cl.

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

The InChIKey is HJFMCLBCSJZDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3OS.ClH/c1-6-19-10-12-21-22(16-19)29-24(25-21)27(14-13-26(7-2)8-3)23(28)20-11-9-17(4)15-18(20)5;/h9-12,15-16H,6-8,13-14H2,1-5H3;1H.

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

N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride has a molecular weight of 446.06 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 44925756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).