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

C23H29N3O2S — CID 43961053

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

N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide (PubChem CID 43961053) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
• PubChem CID: 43961053
• Molecular Formula: C23H29N3O2S
• Molecular Weight: 411.57 g/mol
• Exact Mass: 411.20
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
• SMILES: CCN(CC)CCN(C(=O)c1cc(C)cc(C)c1)c1nc2ccc(OC)cc2s1
• InChI: InChI=1S/C23H29N3O2S/c1-6-25(7-2)10-11-26(22(27)18-13-16(3)12-17(4)14-18)23-24-20-9-8-19(28-5)15-21(20)29-23/h8-9,12-15H,6-7,10-11H2,1-5H3
• InChIKey: SMFZJHTZVZEFOE-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-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide (CID 43961053) is N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide is CCN(CC)CCN(C(=O)c1cc(C)cc(C)c1)c1nc2ccc(OC)cc2s1.

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

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

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

N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide 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-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 43961053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).