N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide

C20H20F7N3OS — CID 176711250

About N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide

N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide (PubChem CID 176711250) has the molecular formula C20H20F7N3OS and a molecular weight of 483.45 g/mol. Its IUPAC name is N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide
• PubChem CID: 176711250
• Molecular Formula: C20H20F7N3OS
• Molecular Weight: 483.45 g/mol
• Exact Mass: 483.12
• IUPAC Name: N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1c(F)cc(N2CCc3nc(C(F)(F)F)sc3C2)cc1C(F)(F)F
• InChI: InChI=1S/C20H20F7N3OS/c1-18(2,3)8-15(31)29-16-11(19(22,23)24)6-10(7-12(16)21)30-5-4-13-14(9-30)32-17(28-13)20(25,26)27/h6-7H,4-5,8-9H2,1-3H3,(H,29,31)
• InChIKey: DFQLOLMMHZGQIB-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.45
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide?

The IUPAC name of N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide (CID 176711250) is N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1c(F)cc(N2CCc3nc(C(F)(F)F)sc3C2)cc1C(F)(F)F.

What is the InChIKey of N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide?

The InChIKey is DFQLOLMMHZGQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F7N3OS/c1-18(2,3)8-15(31)29-16-11(19(22,23)24)6-10(7-12(16)21)30-5-4-13-14(9-30)32-17(28-13)20(25,26)27/h6-7H,4-5,8-9H2,1-3H3,(H,29,31).

What are the key properties of N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide?

N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide has a molecular weight of 483.45 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 176711250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).