2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C23H19Cl2N3O2S — CID 41055389

About 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 41055389) has the molecular formula C23H19Cl2N3O2S and a molecular weight of 472.40 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 41055389
• Molecular Formula: C23H19Cl2N3O2S
• Molecular Weight: 472.40 g/mol
• Exact Mass: 471.06
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: CCc1cccc2sc(N(Cc3ccccn3)C(=O)COc3ccc(Cl)cc3Cl)nc12
• InChI: InChI=1S/C23H19Cl2N3O2S/c1-2-15-6-5-8-20-22(15)27-23(31-20)28(13-17-7-3-4-11-26-17)21(29)14-30-19-10-9-16(24)12-18(19)25/h3-12H,2,13-14H2,1H3
• InChIKey: WRSZHRAQRCOMEQ-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.40
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 41055389) is 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is CCc1cccc2sc(N(Cc3ccccn3)C(=O)COc3ccc(Cl)cc3Cl)nc12.

What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is WRSZHRAQRCOMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2S/c1-2-15-6-5-8-20-22(15)27-23(31-20)28(13-17-7-3-4-11-26-17)21(29)14-30-19-10-9-16(24)12-18(19)25/h3-12H,2,13-14H2,1H3.

What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 472.40 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 41055389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).