1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone

C88H53F20N9O7S4 — CID 159119861

About 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone

1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone (PubChem CID 159119861) has the molecular formula C88H53F20N9O7S4 and a molecular weight of 1856.68 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone
• PubChem CID: 159119861
• Molecular Formula: C88H53F20N9O7S4
• Molecular Weight: 1856.68 g/mol
• Exact Mass: 1855.26
• IUPAC Name: 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone
• SMILES: Cc1nc(C)c(-c2nc(CC(=O)c3c(F)cccc3F)sc2-c2cccc(C(F)(F)F)c2)o1.Cc1ncoc1-c1nc(CC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.Cn1cncc1-c1nc(CC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.O=C(Cc1nc(-c2cnco2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F
• InChI: InChI=1S/C23H15F5N2O2S.C22H14F5N3OS.C22H13F5N2O2S.C21H11F5N2O2S/c1-11-21(32-12(2)29-11)20-22(13-5-3-6-14(9-13)23(26,27)28)33-18(30-20)10-17(31)19-15(24)7-4-8-16(19)25;1-30-11-28-10-16(30)20-21(12-4-2-5-13(8-12)22(25,26)27)32-18(29-20)9-17(31)19-14(23)6-3-7-15(19)24;1-11-20(31-10-28-11)19-21(12-4-2-5-13(8-12)22(25,26)27)32-17(29-19)9-16(30)18-14(23)6-3-7-15(18)24;22-13-5-2-6-14(23)18(13)15(29)8-17-28-19(16-9-27-10-30-16)20(31-17)11-3-1-4-12(7-11)21(24,25)26/h3-9H,10H2,1-2H3;2-8,10-11H,9H2,1H3;2-8,10H,9H2,1H3;1-7,9-10H,8H2
• InChIKey: KFOBGDAASJLYHD-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 215.75 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.68
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone?

The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone (CID 159119861) is 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone.

What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone?

The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone is Cc1nc(C)c(-c2nc(CC(=O)c3c(F)cccc3F)sc2-c2cccc(C(F)(F)F)c2)o1.Cc1ncoc1-c1nc(CC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.Cn1cncc1-c1nc(CC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.O=C(Cc1nc(-c2cnco2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F.

What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone?

The InChIKey is KFOBGDAASJLYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F5N2O2S.C22H14F5N3OS.C22H13F5N2O2S.C21H11F5N2O2S/c1-11-21(32-12(2)29-11)20-22(13-5-3-6-14(9-13)23(26,27)28)33-18(30-20)10-17(31)19-15(24)7-4-8-16(19)25;1-30-11-28-10-16(30)20-21(12-4-2-5-13(8-12)22(25,26)27)32-18(29-20)9-17(31)19-14(23)6-3-7-15(19)24;1-11-20(31-10-28-11)19-21(12-4-2-5-13(8-12)22(25,26)27)32-17(29-19)9-16(30)18-14(23)6-3-7-15(18)24;22-13-5-2-6-14(23)18(13)15(29)8-17-28-19(16-9-27-10-30-16)20(31-17)11-3-1-4-12(7-11)21(24,25)26/h3-9H,10H2,1-2H3;2-8,10-11H,9H2,1H3;2-8,10H,9H2,1H3;1-7,9-10H,8H2.

What are the key properties of 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone?

1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone has a molecular weight of 1856.68 g/mol, XLogP of 25.42, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 159119861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).