N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide

C23H26F3N3O3S — CID 43960530

About N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide

N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 43960530) has the molecular formula C23H26F3N3O3S and a molecular weight of 481.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
• PubChem CID: 43960530
• Molecular Formula: C23H26F3N3O3S
• Molecular Weight: 481.54 g/mol
• Exact Mass: 481.16
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nc2c(OC)ccc(OC)c2s1
• InChI: InChI=1S/C23H26F3N3O3S/c1-5-28(6-2)13-14-29(21(30)15-7-9-16(10-8-15)23(24,25)26)22-27-19-17(31-3)11-12-18(32-4)20(19)33-22/h7-12H,5-6,13-14H2,1-4H3
• InChIKey: NBGQUXDKVZRHEN-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.54
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 43960530) is N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide is CCN(CC)CCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nc2c(OC)ccc(OC)c2s1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide?

The InChIKey is NBGQUXDKVZRHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3S/c1-5-28(6-2)13-14-29(21(30)15-7-9-16(10-8-15)23(24,25)26)22-27-19-17(31-3)11-12-18(32-4)20(19)33-22/h7-12H,5-6,13-14H2,1-4H3.

What are the key properties of N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide?

N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 481.54 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 43960530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).