2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

C22H26Cl3N3O2S — CID 44925028

About 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 44925028) has the molecular formula C22H26Cl3N3O2S and a molecular weight of 502.90 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• PubChem CID: 44925028
• Molecular Formula: C22H26Cl3N3O2S
• Molecular Weight: 502.90 g/mol
• Exact Mass: 501.08
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2ccc(C)cc2s1.Cl
• InChI: InChI=1S/C22H25Cl2N3O2S.ClH/c1-4-26(5-2)10-11-27(22-25-18-8-6-15(3)12-20(18)30-22)21(28)14-29-19-9-7-16(23)13-17(19)24;/h6-9,12-13H,4-5,10-11,14H2,1-3H3;1H
• InChIKey: NYXFFBCEIKHJRX-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.90
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 44925028) is 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is CCN(CC)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2ccc(C)cc2s1.Cl.

What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The InChIKey is NYXFFBCEIKHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2S.ClH/c1-4-26(5-2)10-11-27(22-25-18-8-6-15(3)12-20(18)30-22)21(28)14-29-19-9-7-16(23)13-17(19)24;/h6-9,12-13H,4-5,10-11,14H2,1-3H3;1H.

What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 502.90 g/mol, XLogP of 6.09, 9 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-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 44925028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).