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

C23H29N3OS — CID 41348414

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

N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide (PubChem CID 41348414) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
• PubChem CID: 41348414
• Molecular Formula: C23H29N3OS
• Molecular Weight: 395.57 g/mol
• Exact Mass: 395.20
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
• SMILES: Cc1ccc(C)c(C(=O)N(CCCN(C)C)c2nc3cc(C)cc(C)c3s2)c1
• InChI: InChI=1S/C23H29N3OS/c1-15-8-9-17(3)19(13-15)22(27)26(11-7-10-25(5)6)23-24-20-14-16(2)12-18(4)21(20)28-23/h8-9,12-14H,7,10-11H2,1-6H3
• InChIKey: XUXQDVGARAEGCU-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.57
LogP ≤ 5	5.13
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)-2,5-dimethylbenzamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide (CID 41348414) is N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide.

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

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

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

The InChIKey is XUXQDVGARAEGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS/c1-15-8-9-17(3)19(13-15)22(27)26(11-7-10-25(5)6)23-24-20-14-16(2)12-18(4)21(20)28-23/h8-9,12-14H,7,10-11H2,1-6H3.

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

N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide has a molecular weight of 395.57 g/mol, XLogP of 5.13, 6 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)-2,5-dimethylbenzamide is sourced from PubChem (CID 41348414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).