2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane

C113H84F17N13O10S7 — CID 159563524

About 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane

2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane (PubChem CID 159563524) has the molecular formula C113H84F17N13O10S7 and a molecular weight of 2331.43 g/mol. Its IUPAC name is 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane.

Molecular Properties

• Compound Name: 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane
• PubChem CID: 159563524
• Molecular Formula: C113H84F17N13O10S7
• Molecular Weight: 2331.43 g/mol
• Exact Mass: 2329.42
• IUPAC Name: 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane
• SMILES: CC(=O)c1ncc(-c2nc(CC(=O)c3c(F)cccc3F)sc2C)s1.Cc1ccc(C[C@H](C)CN(C(=O)OC(C)(C)C)c2nc(-c3cnco3)c(-c3ccc4cnccc4c3)s2)cc1.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.S
• InChI: InChI=1S/C31H32N4O3S.C22H14F5N3OS.C22H13F5N2O2S.C21H11F5N2O2S.C17H12F2N2O2S2.H2S/c1-20-6-8-22(9-7-20)14-21(2)18-35(30(36)38-31(3,4)5)29-34-27(26-17-33-19-37-26)28(39-29)24-10-11-25-16-32-13-12-23(25)15-24;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;1-8(22)17-20-7-13(25-17)16-9(2)24-14(21-16)6-12(23)15-10(18)4-3-5-11(15)19;/h6-13,15-17,19,21H,14,18H2,1-5H3;2-8,10-11H,9H2,1H3;2-8,10H,9H2,1H3;1-7,9-10H,8H2;3-5,7H,6H2,1-2H3;1H2/t21-;;;;;/m0...../s1
• InChIKey: MGXOTILVLLXWML-DHOIFHORSA-N
• XLogP: 31.15
• TPSA: 301.03 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2331.43
LogP ≤ 5	31.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane?

The IUPAC name of 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane (CID 159563524) is 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane.

What is the SMILES notation for 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane?

The canonical SMILES for 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane is CC(=O)c1ncc(-c2nc(CC(=O)c3c(F)cccc3F)sc2C)s1.Cc1ccc(C[C@H](C)CN(C(=O)OC(C)(C)C)c2nc(-c3cnco3)c(-c3ccc4cnccc4c3)s2)cc1.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.S.

What is the InChIKey of 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane?

The InChIKey is MGXOTILVLLXWML-DHOIFHORSA-N. The full InChI is InChI=1S/C31H32N4O3S.C22H14F5N3OS.C22H13F5N2O2S.C21H11F5N2O2S.C17H12F2N2O2S2.H2S/c1-20-6-8-22(9-7-20)14-21(2)18-35(30(36)38-31(3,4)5)29-34-27(26-17-33-19-37-26)28(39-29)24-10-11-25-16-32-13-12-23(25)15-24;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;1-8(22)17-20-7-13(25-17)16-9(2)24-14(21-16)6-12(23)15-10(18)4-3-5-11(15)19;/h6-13,15-17,19,21H,14,18H2,1-5H3;2-8,10-11H,9H2,1H3;2-8,10H,9H2,1H3;1-7,9-10H,8H2;3-5,7H,6H2,1-2H3;1H2/t21-;;;;;/m0...../s1.

What are the key properties of 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane?

2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane has a molecular weight of 2331.43 g/mol, XLogP of 31.15, 27 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[(2S)-2-methyl-3-(4-methylphenyl)propyl]carbamate;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;sulfane is sourced from PubChem (CID 159563524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).