2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

C21H24N6O2S — CID 43961856

About 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43961856) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 43961856
• Molecular Formula: C21H24N6O2S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.17
• IUPAC Name: 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
• SMILES: CCOc1ccc2nc(N(CCN(C)C)C(=O)Cn3nnc4ccccc43)sc2c1
• InChI: InChI=1S/C21H24N6O2S/c1-4-29-15-9-10-17-19(13-15)30-21(22-17)26(12-11-25(2)3)20(28)14-27-18-8-6-5-7-16(18)23-24-27/h5-10,13H,4,11-12,14H2,1-3H3
• InChIKey: PANMPRZHCHTVSR-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 76.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (CID 43961856) is 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is CCOc1ccc2nc(N(CCN(C)C)C(=O)Cn3nnc4ccccc43)sc2c1.

What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is PANMPRZHCHTVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-4-29-15-9-10-17-19(13-15)30-21(22-17)26(12-11-25(2)3)20(28)14-27-18-8-6-5-7-16(18)23-24-27/h5-10,13H,4,11-12,14H2,1-3H3.

What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?

2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 424.53 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43961856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).