N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide

C23H29N3O2S — CID 7511937

About N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide

N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 7511937) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
• PubChem CID: 7511937
• Molecular Formula: C23H29N3O2S
• Molecular Weight: 411.57 g/mol
• Exact Mass: 411.20
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2cc(C)cc(C)c2s1
• InChI: InChI=1S/C23H29N3O2S/c1-6-25(7-2)12-13-26(22(27)18-10-8-9-11-20(18)28-5)23-24-19-15-16(3)14-17(4)21(19)29-23/h8-11,14-15H,6-7,12-13H2,1-5H3
• InChIKey: CTNQDQKCTPIMIL-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.57
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide (CID 7511937) is N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide is CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2cc(C)cc(C)c2s1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide?

The InChIKey is CTNQDQKCTPIMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-6-25(7-2)12-13-26(22(27)18-10-8-9-11-20(18)28-5)23-24-19-15-16(3)14-17(4)21(19)29-23/h8-11,14-15H,6-7,12-13H2,1-5H3.

What are the key properties of N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide?

N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 411.57 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 7511937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).