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

C24H30ClN3O3S — CID 44925219

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

4-acetyl-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44925219) has the molecular formula C24H30ClN3O3S and a molecular weight of 476.04 g/mol. Its IUPAC name is 4-acetyl-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-acetyl-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44925219
• Molecular Formula: C24H30ClN3O3S
• Molecular Weight: 476.04 g/mol
• Exact Mass: 475.17
• IUPAC Name: 4-acetyl-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(C(C)=O)cc3)sc2c1.Cl
• InChI: InChI=1S/C24H29N3O3S.ClH/c1-5-26(6-2)14-15-27(23(29)19-10-8-18(9-11-19)17(4)28)24-25-21-13-12-20(30-7-3)16-22(21)31-24;/h8-13,16H,5-7,14-15H2,1-4H3;1H
• InChIKey: UAWBZQJLDQBSGE-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 62.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.04
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-acetyl-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44925219) is 4-acetyl-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

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

The canonical SMILES for 4-acetyl-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(C(C)=O)cc3)sc2c1.Cl.

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

The InChIKey is UAWBZQJLDQBSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S.ClH/c1-5-26(6-2)14-15-27(23(29)19-10-8-18(9-11-19)17(4)28)24-25-21-13-12-20(30-7-3)16-22(21)31-24;/h8-13,16H,5-7,14-15H2,1-4H3;1H.

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

4-acetyl-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 476.04 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44925219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).