N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide

C26H20ClN3O2S — CID 43967123

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43967123) has the molecular formula C26H20ClN3O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 43967123
• Molecular Formula: C26H20ClN3O2S
• Molecular Weight: 473.99 g/mol
• Exact Mass: 473.10
• IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
• SMILES: Cc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)COc3ccc4ccccc4c3)nc12
• InChI: InChI=1S/C26H20ClN3O2S/c1-17-22(27)10-11-23-25(17)29-26(33-23)30(15-18-5-4-12-28-14-18)24(31)16-32-21-9-8-19-6-2-3-7-20(19)13-21/h2-14H,15-16H2,1H3
• InChIKey: YVOGMCBPURZZDV-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.99
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide (CID 43967123) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide is Cc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)COc3ccc4ccccc4c3)nc12.

What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is YVOGMCBPURZZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O2S/c1-17-22(27)10-11-23-25(17)29-26(33-23)30(15-18-5-4-12-28-14-18)24(31)16-32-21-9-8-19-6-2-3-7-20(19)13-21/h2-14H,15-16H2,1H3.

What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide?

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 473.99 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 43967123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).