N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide

C25H23F2N3O2S — CID 43964411

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide (PubChem CID 43964411) has the molecular formula C25H23F2N3O2S and a molecular weight of 467.54 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide.

Molecular Properties

• Compound Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
• PubChem CID: 43964411
• Molecular Formula: C25H23F2N3O2S
• Molecular Weight: 467.54 g/mol
• Exact Mass: 467.15
• IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
• SMILES: CN(C)CCCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2c(F)cc(F)cc2s1
• InChI: InChI=1S/C25H23F2N3O2S/c1-29(2)13-8-14-30(25-28-23-20(27)15-17(26)16-22(23)33-25)24(31)19-11-6-7-12-21(19)32-18-9-4-3-5-10-18/h3-7,9-12,15-16H,8,13-14H2,1-2H3
• InChIKey: GWHBPIMQSWMLPD-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.54
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide?

The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide (CID 43964411) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide.

What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide?

The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide is CN(C)CCCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2c(F)cc(F)cc2s1.

What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide?

The InChIKey is GWHBPIMQSWMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2S/c1-29(2)13-8-14-30(25-28-23-20(27)15-17(26)16-22(23)33-25)24(31)19-11-6-7-12-21(19)32-18-9-4-3-5-10-18/h3-7,9-12,15-16H,8,13-14H2,1-2H3.

What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide?

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide has a molecular weight of 467.54 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxybenzamide is sourced from PubChem (CID 43964411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).