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

C24H32ClN3OS — CID 44931643

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

N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 44931643) has the molecular formula C24H32ClN3OS and a molecular weight of 446.06 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride
• PubChem CID: 44931643
• Molecular Formula: C24H32ClN3OS
• Molecular Weight: 446.06 g/mol
• Exact Mass: 445.20
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride
• SMILES: Cc1cc(C)c(CC(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)c(C)c1.Cl
• InChI: InChI=1S/C24H31N3OS.ClH/c1-16-8-9-21-22(14-16)29-24(25-21)27(11-7-10-26(5)6)23(28)15-20-18(3)12-17(2)13-19(20)4;/h8-9,12-14H,7,10-11,15H2,1-6H3;1H
• InChIKey: LLLHFZOXFBBIEE-UHFFFAOYSA-N
• XLogP: 5.48
• 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	446.06
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 44931643) is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

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

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride is Cc1cc(C)c(CC(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)c(C)c1.Cl.

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

The InChIKey is LLLHFZOXFBBIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3OS.ClH/c1-16-8-9-21-22(14-16)29-24(25-21)27(11-7-10-26(5)6)23(28)15-20-18(3)12-17(2)13-19(20)4;/h8-9,12-14H,7,10-11,15H2,1-6H3;1H.

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

N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 446.06 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 44931643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).