N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide

C26H21N3O2S — CID 16849710

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 16849710) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 16849710
• Molecular Formula: C26H21N3O2S
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.14
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide
• SMILES: COc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3ccc4ccccc4c3)sc2c1
• InChI: InChI=1S/C26H21N3O2S/c1-31-22-10-11-23-24(15-22)32-26(28-23)29(17-19-5-4-12-27-16-19)25(30)14-18-8-9-20-6-2-3-7-21(20)13-18/h2-13,15-16H,14,17H2,1H3
• InChIKey: ZWUBKOCBCCXDKJ-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide (CID 16849710) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide is COc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3ccc4ccccc4c3)sc2c1.

What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is ZWUBKOCBCCXDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c1-31-22-10-11-23-24(15-22)32-26(28-23)29(17-19-5-4-12-27-16-19)25(30)14-18-8-9-20-6-2-3-7-21(20)13-18/h2-13,15-16H,14,17H2,1H3.

What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide?

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 439.54 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 16849710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).