2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C22H17ClN6O2S — CID 43987607

About 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43987607) has the molecular formula C22H17ClN6O2S and a molecular weight of 464.94 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 43987607
• Molecular Formula: C22H17ClN6O2S
• Molecular Weight: 464.94 g/mol
• Exact Mass: 464.08
• IUPAC Name: 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: COc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)Cn3nnc4ccccc43)nc12
• InChI: InChI=1S/C22H17ClN6O2S/c1-31-18-10-9-15(23)21-20(18)25-22(32-21)28(12-14-6-4-5-11-24-14)19(30)13-29-17-8-3-2-7-16(17)26-27-29/h2-11H,12-13H2,1H3
• InChIKey: UAKDXKDHFTZHCT-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 86.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.94
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 43987607) is 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)Cn3nnc4ccccc43)nc12.

What is the InChIKey of 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is UAKDXKDHFTZHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O2S/c1-31-18-10-9-15(23)21-20(18)25-22(32-21)28(12-14-6-4-5-11-24-14)19(30)13-29-17-8-3-2-7-16(17)26-27-29/h2-11H,12-13H2,1H3.

What are the key properties of 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 464.94 g/mol, XLogP of 4.33, 6 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-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43987607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).