5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one

C250H237F4N23O42S11 — CID 157410559

About 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one

5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 157410559) has the molecular formula C250H237F4N23O42S11 and a molecular weight of 4664.49 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one
• PubChem CID: 157410559
• Molecular Formula: C250H237F4N23O42S11
• Molecular Weight: 4664.49 g/mol
• Exact Mass: 4660.40
• IUPAC Name: 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one
• SMILES: CCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1.CCc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1.COc1ccc(Oc2cccc3c2CC[C@H]3Nc2ccc(C3=CC(=O)NS3=O)cc2)c(C)n1.COc1ccc(Oc2cccc3c2OC[C@H]3Nc2ccc(C3=CC(=O)NS3=O)cc2)cc1.Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc2c1CC[C@H]2Nc1ccc(C2=CC(=O)NS2=O)cc1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1CC[C@H]2Nc1ccc(C2=CC(=O)NS2=O)cc1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1OC[C@H]2Nc1ccc(C2=CC(=O)NS2=O)cc1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1CC[C@H]2Nc1ccc(C2=CC(=O)NS2=O)cc1.Cc1nc(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1
• InChI: InChI=1S/C31H32N2O5S2.C31H34N2O4S.C30H32N2O5S2.C30H32N2O5S.C27H26N4O5S.C26H19F2N3O5S.C26H19F2N3O4S.C25H23N3O4S.C24H20N2O5S/c1-19-16-24(38-23-12-14-40(36,37)15-13-23)17-20(2)31(19)27-5-3-4-26-25(27)10-11-28(26)32-22-8-6-21(7-9-22)29-18-30(34)33-39(29)35;1-19-16-23(37-15-14-31(3,4)35)17-20(2)30(19)26-7-5-6-25-24(26)12-13-27(25)32-22-10-8-21(9-11-22)28-18-29(34)33-38(28)36;1-19-16-23(37-14-5-15-39(3,35)36)17-20(2)30(19)26-7-4-6-25-24(26)12-13-27(25)31-22-10-8-21(9-11-22)28-18-29(33)32-38(28)34;1-18-14-22(36-13-12-30(3,4)34)15-19(2)28(18)24-7-5-6-23-25(17-37-29(23)24)31-21-10-8-20(9-11-21)26-16-27(33)32-38(26)35;1-16-25(17(2)29-27(28-16)31-10-12-34-13-11-31)21-5-3-4-20-22(15-35-26(20)21)36-19-8-6-18(7-9-19)23-14-24(32)30-37(23)33;1-2-34-26-29-18-11-10-17(27)23(28)24(18)31(26)19-5-3-4-16-20(13-35-25(16)19)36-15-8-6-14(7-9-15)21-12-22(32)30-37(21)33;1-2-22-29-18-11-10-17(27)24(28)25(18)31(22)19-5-3-4-16-20(13-34-26(16)19)35-15-8-6-14(7-9-15)21-12-23(32)30-36(21)33;1-15-21(12-13-25(26-15)31-2)32-22-5-3-4-18-19(22)10-11-20(18)27-17-8-6-16(7-9-17)23-14-24(29)28-33(23)30;1-29-17-9-11-18(12-10-17)31-21-4-2-3-19-20(14-30-24(19)21)25-16-7-5-15(6-8-16)22-13-23(27)26-32(22)28/h3-9,16-18,23,28,32H,10-15H2,1-2H3,(H,33,34);5-11,16-18,27,32,35H,12-15H2,1-4H3,(H,33,34);4,6-11,16-18,27,31H,5,12-15H2,1-3H3,(H,32,33);5-11,14-16,25,31,34H,12-13,17H2,1-4H3,(H,32,33);3-9,14,22H,10-13,15H2,1-2H3,(H,30,32);3-12,20H,2,13H2,1H3,(H,30,32);3-12,20H,2,13H2,1H3,(H,30,32);3-9,12-14,20,27H,10-11H2,1-2H3,(H,28,29);2-13,20,25H,14H2,1H3,(H,26,27)/t28-,39?;2*27-,38?;25-,38?;22-,37?;20-,37?;20-,36?;20-,33?;20-,32?/m111111111/s1
• InChIKey: BOFUNMVZDUXHEF-POTBVIQJSA-N
• XLogP: 41.81
• TPSA: 840.14 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 56
• Rotatable Bonds: 59
• Heavy Atoms: 330
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4664.49
LogP ≤ 5	41.81
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one?

The IUPAC name of 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one (CID 157410559) is 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one.

What is the SMILES notation for 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one is CCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1.CCc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1.COc1ccc(Oc2cccc3c2CC[C@H]3Nc2ccc(C3=CC(=O)NS3=O)cc2)c(C)n1.COc1ccc(Oc2cccc3c2OC[C@H]3Nc2ccc(C3=CC(=O)NS3=O)cc2)cc1.Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc2c1CC[C@H]2Nc1ccc(C2=CC(=O)NS2=O)cc1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1CC[C@H]2Nc1ccc(C2=CC(=O)NS2=O)cc1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1OC[C@H]2Nc1ccc(C2=CC(=O)NS2=O)cc1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1CC[C@H]2Nc1ccc(C2=CC(=O)NS2=O)cc1.Cc1nc(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1.

What is the InChIKey of 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one?

The InChIKey is BOFUNMVZDUXHEF-POTBVIQJSA-N. The full InChI is InChI=1S/C31H32N2O5S2.C31H34N2O4S.C30H32N2O5S2.C30H32N2O5S.C27H26N4O5S.C26H19F2N3O5S.C26H19F2N3O4S.C25H23N3O4S.C24H20N2O5S/c1-19-16-24(38-23-12-14-40(36,37)15-13-23)17-20(2)31(19)27-5-3-4-26-25(27)10-11-28(26)32-22-8-6-21(7-9-22)29-18-30(34)33-39(29)35;1-19-16-23(37-15-14-31(3,4)35)17-20(2)30(19)26-7-5-6-25-24(26)12-13-27(25)32-22-10-8-21(9-11-22)28-18-29(34)33-38(28)36;1-19-16-23(37-14-5-15-39(3,35)36)17-20(2)30(19)26-7-4-6-25-24(26)12-13-27(25)31-22-10-8-21(9-11-22)28-18-29(33)32-38(28)34;1-18-14-22(36-13-12-30(3,4)34)15-19(2)28(18)24-7-5-6-23-25(17-37-29(23)24)31-21-10-8-20(9-11-21)26-16-27(33)32-38(26)35;1-16-25(17(2)29-27(28-16)31-10-12-34-13-11-31)21-5-3-4-20-22(15-35-26(20)21)36-19-8-6-18(7-9-19)23-14-24(32)30-37(23)33;1-2-34-26-29-18-11-10-17(27)23(28)24(18)31(26)19-5-3-4-16-20(13-35-25(16)19)36-15-8-6-14(7-9-15)21-12-22(32)30-37(21)33;1-2-22-29-18-11-10-17(27)24(28)25(18)31(22)19-5-3-4-16-20(13-34-26(16)19)35-15-8-6-14(7-9-15)21-12-23(32)30-36(21)33;1-15-21(12-13-25(26-15)31-2)32-22-5-3-4-18-19(22)10-11-20(18)27-17-8-6-16(7-9-17)23-14-24(29)28-33(23)30;1-29-17-9-11-18(12-10-17)31-21-4-2-3-19-20(14-30-24(19)21)25-16-7-5-15(6-8-16)22-13-23(27)26-32(22)28/h3-9,16-18,23,28,32H,10-15H2,1-2H3,(H,33,34);5-11,16-18,27,32,35H,12-15H2,1-4H3,(H,33,34);4,6-11,16-18,27,31H,5,12-15H2,1-3H3,(H,32,33);5-11,14-16,25,31,34H,12-13,17H2,1-4H3,(H,32,33);3-9,14,22H,10-13,15H2,1-2H3,(H,30,32);3-12,20H,2,13H2,1H3,(H,30,32);3-12,20H,2,13H2,1H3,(H,30,32);3-9,12-14,20,27H,10-11H2,1-2H3,(H,28,29);2-13,20,25H,14H2,1H3,(H,26,27)/t28-,39?;2*27-,38?;25-,38?;22-,37?;20-,37?;20-,36?;20-,33?;20-,32?/m111111111/s1.

What are the key properties of 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one?

5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 4664.49 g/mol, XLogP of 41.81, 59 rotatable bonds, 17 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(1R)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-(4-methoxyphenoxy)-2,3-dihydro-1-benzofuran-3-yl]amino]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 157410559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).