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

C21H23Cl4N3O2S — CID 44925467

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

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride (PubChem CID 44925467) has the molecular formula C21H23Cl4N3O2S and a molecular weight of 523.31 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
• PubChem CID: 44925467
• Molecular Formula: C21H23Cl4N3O2S
• Molecular Weight: 523.31 g/mol
• Exact Mass: 521.03
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2ccc(Cl)cc2s1.Cl
• InChI: InChI=1S/C21H22Cl3N3O2S.ClH/c1-3-26(4-2)9-10-27(21-25-17-7-5-15(23)12-19(17)30-21)20(28)13-29-18-8-6-14(22)11-16(18)24;/h5-8,11-12H,3-4,9-10,13H2,1-2H3;1H
• InChIKey: ZRMZNHCFQIWXJR-UHFFFAOYSA-N
• XLogP: 6.43
• 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	523.31
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride (CID 44925467) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride.

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

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

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

The InChIKey is ZRMZNHCFQIWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl3N3O2S.ClH/c1-3-26(4-2)9-10-27(21-25-17-7-5-15(23)12-19(17)30-21)20(28)13-29-18-8-6-14(22)11-16(18)24;/h5-8,11-12H,3-4,9-10,13H2,1-2H3;1H.

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

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 523.31 g/mol, XLogP of 6.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 44925467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).