N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride

C24H26ClN3O2S — CID 44923699

About N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride

N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride (PubChem CID 44923699) has the molecular formula C24H26ClN3O2S and a molecular weight of 456.01 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
• PubChem CID: 44923699
• Molecular Formula: C24H26ClN3O2S
• Molecular Weight: 456.01 g/mol
• Exact Mass: 455.14
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
• SMILES: COc1cccc2sc(N(CCN(C)C)C(=O)Cc3cccc4ccccc34)nc12.Cl
• InChI: InChI=1S/C24H25N3O2S.ClH/c1-26(2)14-15-27(24-25-23-20(29-3)12-7-13-21(23)30-24)22(28)16-18-10-6-9-17-8-4-5-11-19(17)18;/h4-13H,14-16H2,1-3H3;1H
• InChIKey: KXRBVFRPJYMDDG-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.01
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride (CID 44923699) is N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride is COc1cccc2sc(N(CCN(C)C)C(=O)Cc3cccc4ccccc34)nc12.Cl.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride?

The InChIKey is KXRBVFRPJYMDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S.ClH/c1-26(2)14-15-27(24-25-23-20(29-3)12-7-13-21(23)30-24)22(28)16-18-10-6-9-17-8-4-5-11-19(17)18;/h4-13H,14-16H2,1-3H3;1H.

What are the key properties of N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride?

N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride has a molecular weight of 456.01 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride is sourced from PubChem (CID 44923699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).