2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C21H24Cl3N3OS — CID 44925779

About 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44925779) has the molecular formula C21H24Cl3N3OS and a molecular weight of 472.87 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44925779
• Molecular Formula: C21H24Cl3N3OS
• Molecular Weight: 472.87 g/mol
• Exact Mass: 471.07
• IUPAC Name: 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)c1ccc(Cl)cc1Cl)c1nc2c(C)cccc2s1.Cl
• InChI: InChI=1S/C21H23Cl2N3OS.ClH/c1-4-25(5-2)11-12-26(20(27)16-10-9-15(22)13-17(16)23)21-24-19-14(3)7-6-8-18(19)28-21;/h6-10,13H,4-5,11-12H2,1-3H3;1H
• InChIKey: PTFDRSKWMVJYSL-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.87
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44925779) is 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

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

The canonical SMILES for 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CCN(CC)CCN(C(=O)c1ccc(Cl)cc1Cl)c1nc2c(C)cccc2s1.Cl.

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

The InChIKey is PTFDRSKWMVJYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3OS.ClH/c1-4-25(5-2)11-12-26(20(27)16-10-9-15(22)13-17(16)23)21-24-19-14(3)7-6-8-18(19)28-21;/h6-10,13H,4-5,11-12H2,1-3H3;1H.

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

2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 472.87 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44925779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).