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

C26H21N3OS — CID 40982885

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

N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 40982885) has the molecular formula C26H21N3OS and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 40982885
• Molecular Formula: C26H21N3OS
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.14
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
• SMILES: Cc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3cccc4ccccc34)sc2c1
• InChI: InChI=1S/C26H21N3OS/c1-18-11-12-23-24(14-18)31-26(28-23)29(17-19-6-5-13-27-16-19)25(30)15-21-9-4-8-20-7-2-3-10-22(20)21/h2-14,16H,15,17H2,1H3
• InChIKey: BEJJMQRXQVKHFO-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide (CID 40982885) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide.

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

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3cccc4ccccc34)sc2c1.

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

The InChIKey is BEJJMQRXQVKHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3OS/c1-18-11-12-23-24(14-18)31-26(28-23)29(17-19-6-5-13-27-16-19)25(30)15-21-9-4-8-20-7-2-3-10-22(20)21/h2-14,16H,15,17H2,1H3.

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

N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 40982885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).