N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide

C25H27N3OS — CID 25322647

About N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide

N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide (PubChem CID 25322647) has the molecular formula C25H27N3OS and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide
• PubChem CID: 25322647
• Molecular Formula: C25H27N3OS
• Molecular Weight: 417.58 g/mol
• Exact Mass: 417.19
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide
• SMILES: Cc1cc2nc(N(CCN(C)C)C(=O)Cc3cccc4ccccc34)sc2cc1C
• InChI: InChI=1S/C25H27N3OS/c1-17-14-22-23(15-18(17)2)30-25(26-22)28(13-12-27(3)4)24(29)16-20-10-7-9-19-8-5-6-11-21(19)20/h5-11,14-15H,12-13,16H2,1-4H3
• InChIKey: DKURWLQBMWMJLA-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.58
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide (CID 25322647) is N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide is Cc1cc2nc(N(CCN(C)C)C(=O)Cc3cccc4ccccc34)sc2cc1C.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide?

The InChIKey is DKURWLQBMWMJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3OS/c1-17-14-22-23(15-18(17)2)30-25(26-22)28(13-12-27(3)4)24(29)16-20-10-7-9-19-8-5-6-11-21(19)20/h5-11,14-15H,12-13,16H2,1-4H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide?

N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 417.58 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 25322647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).