N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

C23H29N3O3S — CID 7512223

About N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (PubChem CID 7512223) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
• PubChem CID: 7512223
• Molecular Formula: C23H29N3O3S
• Molecular Weight: 427.57 g/mol
• Exact Mass: 427.19
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
• SMILES: CCc1ccc2nc(N(CCCN(C)C)C(=O)c3cc(OC)cc(OC)c3)sc2c1
• InChI: InChI=1S/C23H29N3O3S/c1-6-16-8-9-20-21(12-16)30-23(24-20)26(11-7-10-25(2)3)22(27)17-13-18(28-4)15-19(14-17)29-5/h8-9,12-15H,6-7,10-11H2,1-5H3
• InChIKey: LEWVTLQVXGPCIW-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.57
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (CID 7512223) is N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is CCc1ccc2nc(N(CCCN(C)C)C(=O)c3cc(OC)cc(OC)c3)sc2c1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?

The InChIKey is LEWVTLQVXGPCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-6-16-8-9-20-21(12-16)30-23(24-20)26(11-7-10-25(2)3)22(27)17-13-18(28-4)15-19(14-17)29-5/h8-9,12-15H,6-7,10-11H2,1-5H3.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?

N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 427.57 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 7512223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).