N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide

C23H29N3O4S — CID 43960021

About N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide

N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 43960021) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
• PubChem CID: 43960021
• Molecular Formula: C23H29N3O4S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.19
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2cc(OC)c(OC)cc2s1
• InChI: InChI=1S/C23H29N3O4S/c1-6-25(7-2)12-13-26(22(27)16-10-8-9-11-18(16)28-3)23-24-17-14-19(29-4)20(30-5)15-21(17)31-23/h8-11,14-15H,6-7,12-13H2,1-5H3
• InChIKey: PVJIZUBLFHXZHG-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide (CID 43960021) is N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide is CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2cc(OC)c(OC)cc2s1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide?

The InChIKey is PVJIZUBLFHXZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-6-25(7-2)12-13-26(22(27)16-10-8-9-11-18(16)28-3)23-24-17-14-19(29-4)20(30-5)15-21(17)31-23/h8-11,14-15H,6-7,12-13H2,1-5H3.

What are the key properties of N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide?

N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 443.57 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 43960021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).