2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C21H24Cl3N3OS — CID 44932230

About 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44932230) has the molecular formula C21H24Cl3N3OS and a molecular weight of 472.87 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44932230
• Molecular Formula: C21H24Cl3N3OS
• Molecular Weight: 472.87 g/mol
• Exact Mass: 471.07
• IUPAC Name: 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: Cc1cc2nc(N(CCCN(C)C)C(=O)c3ccc(Cl)cc3Cl)sc2cc1C.Cl
• InChI: InChI=1S/C21H23Cl2N3OS.ClH/c1-13-10-18-19(11-14(13)2)28-21(24-18)26(9-5-8-25(3)4)20(27)16-7-6-15(22)12-17(16)23;/h6-7,10-12H,5,8-9H2,1-4H3;1H
• InChIKey: DOSJBKNEQFKTDA-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.87
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The IUPAC name of 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44932230) is 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

What is the SMILES notation for 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The canonical SMILES for 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is Cc1cc2nc(N(CCCN(C)C)C(=O)c3ccc(Cl)cc3Cl)sc2cc1C.Cl.

What is the InChIKey of 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

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

What are the key properties of 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 472.87 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44932230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).