N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide

C22H27N3O2S — CID 7525204

About N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide

N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide (PubChem CID 7525204) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide
• PubChem CID: 7525204
• Molecular Formula: C22H27N3O2S
• Molecular Weight: 397.54 g/mol
• Exact Mass: 397.18
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)N(CCCN(C)C)c2nc3cc(C)c(C)cc3s2)cc1
• InChI: InChI=1S/C22H27N3O2S/c1-15-13-19-20(14-16(15)2)28-22(23-19)25(12-6-11-24(3)4)21(26)17-7-9-18(27-5)10-8-17/h7-10,13-14H,6,11-12H2,1-5H3
• InChIKey: SEECNYYIUNQWGX-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.54
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide (CID 7525204) is N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)N(CCCN(C)C)c2nc3cc(C)c(C)cc3s2)cc1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide?

The InChIKey is SEECNYYIUNQWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-15-13-19-20(14-16(15)2)28-22(23-19)25(12-6-11-24(3)4)21(26)17-7-9-18(27-5)10-8-17/h7-10,13-14H,6,11-12H2,1-5H3.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide?

N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide has a molecular weight of 397.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 7525204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).