2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide

C20H10F6N4OS — CID 118010088

About 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide

2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide (PubChem CID 118010088) has the molecular formula C20H10F6N4OS and a molecular weight of 468.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide
• PubChem CID: 118010088
• Molecular Formula: C20H10F6N4OS
• Molecular Weight: 468.38 g/mol
• Exact Mass: 468.05
• IUPAC Name: 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide
• SMILES: O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)c(F)c1)c1c(F)cccc1F
• InChI: InChI=1S/C20H10F6N4OS/c21-13-2-1-3-14(22)16(13)18(31)28-10-4-5-11(15(23)8-10)12-9-30(19-27-6-7-32-19)29-17(12)20(24,25)26/h1-9H,(H,28,31)
• InChIKey: JFGJNGYVTCCRJD-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.38
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide?

The IUPAC name of 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide (CID 118010088) is 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide is O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)c(F)c1)c1c(F)cccc1F.

What is the InChIKey of 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide?

The InChIKey is JFGJNGYVTCCRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N4OS/c21-13-2-1-3-14(22)16(13)18(31)28-10-4-5-11(15(23)8-10)12-9-30(19-27-6-7-32-19)29-17(12)20(24,25)26/h1-9H,(H,28,31).

What are the key properties of 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide?

2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide has a molecular weight of 468.38 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 118010088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).