2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C22H26Cl3N3OS — CID 44926975

About 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44926975) has the molecular formula C22H26Cl3N3OS and a molecular weight of 486.90 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44926975
• Molecular Formula: C22H26Cl3N3OS
• Molecular Weight: 486.90 g/mol
• Exact Mass: 485.09
• IUPAC Name: 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)c1ccc(Cl)cc1Cl)c1nc2cc(C)cc(C)c2s1.Cl
• InChI: InChI=1S/C22H25Cl2N3OS.ClH/c1-5-26(6-2)9-10-27(21(28)17-8-7-16(23)13-18(17)24)22-25-19-12-14(3)11-15(4)20(19)29-22;/h7-8,11-13H,5-6,9-10H2,1-4H3;1H
• InChIKey: VSIZZRIBSKMSKE-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.90
LogP ≤ 5	6.63
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-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The IUPAC name of 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44926975) is 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

What is the SMILES notation for 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The canonical SMILES for 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CCN(CC)CCN(C(=O)c1ccc(Cl)cc1Cl)c1nc2cc(C)cc(C)c2s1.Cl.

What is the InChIKey of 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The InChIKey is VSIZZRIBSKMSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3OS.ClH/c1-5-26(6-2)9-10-27(21(28)17-8-7-16(23)13-18(17)24)22-25-19-12-14(3)11-15(4)20(19)29-22;/h7-8,11-13H,5-6,9-10H2,1-4H3;1H.

What are the key properties of 2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 486.90 g/mol, XLogP of 6.63, 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-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44926975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).