N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide

C24H31N3OS — CID 41099730

About N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide

N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide (PubChem CID 41099730) has the molecular formula C24H31N3OS and a molecular weight of 409.60 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
• PubChem CID: 41099730
• Molecular Formula: C24H31N3OS
• Molecular Weight: 409.60 g/mol
• Exact Mass: 409.22
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(CC(=O)N(CCCN(C)C)c2nc3cc(C)cc(C)c3s2)c(C)c1
• InChI: InChI=1S/C24H31N3OS/c1-16-8-9-20(18(3)12-16)15-22(28)27(11-7-10-26(5)6)24-25-21-14-17(2)13-19(4)23(21)29-24/h8-9,12-14H,7,10-11,15H2,1-6H3
• InChIKey: YOKDMSWPVCERFS-UHFFFAOYSA-N
• XLogP: 5.06
• 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	409.60
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide (CID 41099730) is N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N(CCCN(C)C)c2nc3cc(C)cc(C)c3s2)c(C)c1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide?

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

What are the key properties of N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide?

N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 409.60 g/mol, XLogP of 5.06, 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-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 41099730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).