N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide

C25H24FN3O2S — CID 16808811

About N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide (PubChem CID 16808811) has the molecular formula C25H24FN3O2S and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
• PubChem CID: 16808811
• Molecular Formula: C25H24FN3O2S
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.16
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
• SMILES: CN(C)CCCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2c(F)cccc2s1
• InChI: InChI=1S/C25H24FN3O2S/c1-28(2)16-9-17-29(25-27-23-20(26)13-8-15-22(23)32-25)24(30)19-12-6-7-14-21(19)31-18-10-4-3-5-11-18/h3-8,10-15H,9,16-17H2,1-2H3
• InChIKey: YZEPLLQQLUSCGZ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide (CID 16808811) is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide is CN(C)CCCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2c(F)cccc2s1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?

The InChIKey is YZEPLLQQLUSCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2S/c1-28(2)16-9-17-29(25-27-23-20(26)13-8-15-22(23)32-25)24(30)19-12-6-7-14-21(19)31-18-10-4-3-5-11-18/h3-8,10-15H,9,16-17H2,1-2H3.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide has a molecular weight of 449.55 g/mol, XLogP of 5.83, 8 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-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide is sourced from PubChem (CID 16808811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).