6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

C126H96F6N20O20S10 — CID 158809865

About 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 158809865) has the molecular formula C126H96F6N20O20S10 and a molecular weight of 2644.93 g/mol. Its IUPAC name is 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
• PubChem CID: 158809865
• Molecular Formula: C126H96F6N20O20S10
• Molecular Weight: 2644.93 g/mol
• Exact Mass: 2642.42
• IUPAC Name: 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
• SMILES: COc1cc(OCc2csc(-c3ccc(C(C)(F)F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccc(F)cc3C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3cccc(C(F)(F)F)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3cccc(C)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3cccc(C)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
• InChI: InChI=1S/C26H20F2N4O4S2.C25H17F3N4O4S2.C25H19FN4O4S2.2C25H20N4O4S2/c1-26(27,28)15-6-4-14(5-7-15)23-29-16(13-37-23)12-35-20-8-17(33-2)9-21-18(20)10-22(36-21)19-11-32-24(30-19)38-25(31-32)34-3;1-33-16-7-19(35-11-15-12-37-22(29-15)13-4-3-5-14(6-13)25(26,27)28)17-9-21(36-20(17)8-16)18-10-32-23(30-18)38-24(31-32)34-2;1-13-6-14(26)4-5-17(13)23-27-15(12-35-23)11-33-20-7-16(31-2)8-21-18(20)9-22(34-21)19-10-30-24(28-19)36-25(29-30)32-3;2*1-14-5-4-6-15(7-14)23-26-16(13-34-23)12-32-20-8-17(30-2)9-21-18(20)10-22(33-21)19-11-29-24(27-19)35-25(28-29)31-3/h4-11,13H,12H2,1-3H3;3-10,12H,11H2,1-2H3;4-10,12H,11H2,1-3H3;2*4-11,13H,12H2,1-3H3
• InChIKey: IUNSAEQGAGTPLP-UHFFFAOYSA-N
• XLogP: 32.81
• TPSA: 419.55 Ų
• H-Bond Acceptors: 50
• Rotatable Bonds: 36
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2644.93
LogP ≤ 5	32.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?

The IUPAC name of 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 158809865) is 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.

What is the SMILES notation for 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?

The canonical SMILES for 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is COc1cc(OCc2csc(-c3ccc(C(C)(F)F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccc(F)cc3C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3cccc(C(F)(F)F)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3cccc(C)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3cccc(C)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.

What is the InChIKey of 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?

The InChIKey is IUNSAEQGAGTPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O4S2.C25H17F3N4O4S2.C25H19FN4O4S2.2C25H20N4O4S2/c1-26(27,28)15-6-4-14(5-7-15)23-29-16(13-37-23)12-35-20-8-17(33-2)9-21-18(20)10-22(36-21)19-11-32-24(30-19)38-25(31-32)34-3;1-33-16-7-19(35-11-15-12-37-22(29-15)13-4-3-5-14(6-13)25(26,27)28)17-9-21(36-20(17)8-16)18-10-32-23(30-18)38-24(31-32)34-2;1-13-6-14(26)4-5-17(13)23-27-15(12-35-23)11-33-20-7-16(31-2)8-21-18(20)9-22(34-21)19-10-30-24(28-19)36-25(29-30)32-3;2*1-14-5-4-6-15(7-14)23-26-16(13-34-23)12-32-20-8-17(30-2)9-21-18(20)10-22(33-21)19-11-29-24(27-19)35-25(28-29)31-3/h4-11,13H,12H2,1-3H3;3-10,12H,11H2,1-2H3;4-10,12H,11H2,1-3H3;2*4-11,13H,12H2,1-3H3.

What are the key properties of 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?

6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 2644.93 g/mol, XLogP of 32.81, 36 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 158809865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).