4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C24H33ClN4OS — CID 44929621

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

4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44929621) has the molecular formula C24H33ClN4OS and a molecular weight of 461.08 g/mol. Its IUPAC name is 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44929621
• Molecular Formula: C24H33ClN4OS
• Molecular Weight: 461.08 g/mol
• Exact Mass: 460.21
• IUPAC Name: 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: CCN(CC)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)cc1.Cl
• InChI: InChI=1S/C24H32N4OS.ClH/c1-6-27(7-2)20-12-10-19(11-13-20)23(29)28(16-8-15-26(4)5)24-25-21-14-9-18(3)17-22(21)30-24;/h9-14,17H,6-8,15-16H2,1-5H3;1H
• InChIKey: BYJYBTWRWGCRIV-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 39.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.08
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44929621) is 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

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

The canonical SMILES for 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CCN(CC)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)cc1.Cl.

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

The InChIKey is BYJYBTWRWGCRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4OS.ClH/c1-6-27(7-2)20-12-10-19(11-13-20)23(29)28(16-8-15-26(4)5)24-25-21-14-9-18(3)17-22(21)30-24;/h9-14,17H,6-8,15-16H2,1-5H3;1H.

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

4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 461.08 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44929621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).