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

C25H18BrN3O2S — CID 43967114

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

N-(6-bromo-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43967114) has the molecular formula C25H18BrN3O2S and a molecular weight of 504.41 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 43967114
• Molecular Formula: C25H18BrN3O2S
• Molecular Weight: 504.41 g/mol
• Exact Mass: 503.03
• IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
• SMILES: O=C(COc1ccc2ccccc2c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1
• InChI: InChI=1S/C25H18BrN3O2S/c26-20-8-10-22-23(13-20)32-25(28-22)29(15-17-4-3-11-27-14-17)24(30)16-31-21-9-7-18-5-1-2-6-19(18)12-21/h1-14H,15-16H2
• InChIKey: LLLYAJKIAUOIHR-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.41
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide (CID 43967114) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide.

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

The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide is O=C(COc1ccc2ccccc2c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1.

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

The InChIKey is LLLYAJKIAUOIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN3O2S/c26-20-8-10-22-23(13-20)32-25(28-22)29(15-17-4-3-11-27-14-17)24(30)16-31-21-9-7-18-5-1-2-6-19(18)12-21/h1-14H,15-16H2.

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

N-(6-bromo-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 504.41 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 43967114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).