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

C26H30ClN3O2S — CID 44925952

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

N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride (PubChem CID 44925952) has the molecular formula C26H30ClN3O2S and a molecular weight of 484.07 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
• PubChem CID: 44925952
• Molecular Formula: C26H30ClN3O2S
• Molecular Weight: 484.07 g/mol
• Exact Mass: 483.17
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)Cc1cccc2ccccc12)c1nc2c(OC)cccc2s1.Cl
• InChI: InChI=1S/C26H29N3O2S.ClH/c1-4-28(5-2)16-17-29(26-27-25-22(31-3)14-9-15-23(25)32-26)24(30)18-20-12-8-11-19-10-6-7-13-21(19)20;/h6-15H,4-5,16-18H2,1-3H3;1H
• InChIKey: OWAWZKTUVUNTNK-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.07
LogP ≤ 5	5.80
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-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride (CID 44925952) is N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride is CCN(CC)CCN(C(=O)Cc1cccc2ccccc12)c1nc2c(OC)cccc2s1.Cl.

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

The InChIKey is OWAWZKTUVUNTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S.ClH/c1-4-28(5-2)16-17-29(26-27-25-22(31-3)14-9-15-23(25)32-26)24(30)18-20-12-8-11-19-10-6-7-13-21(19)20;/h6-15H,4-5,16-18H2,1-3H3;1H.

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

N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride has a molecular weight of 484.07 g/mol, XLogP of 5.80, 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-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride is sourced from PubChem (CID 44925952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).