5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one

C210H167N19O47S10 — CID 161323304

About 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one

5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one (PubChem CID 161323304) has the molecular formula C210H167N19O47S10 and a molecular weight of 4029.40 g/mol. Its IUPAC name is 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one
• PubChem CID: 161323304
• Molecular Formula: C210H167N19O47S10
• Molecular Weight: 4029.40 g/mol
• Exact Mass: 4025.85
• IUPAC Name: 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one
• SMILES: COc1ccc(Oc2cccc3c2CCC3Oc2ccc(C3=CC(=O)NS3=O)cc2)nc1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)nc1.COc1cccc(Oc2cccc3c2CCC3Oc2ccc(C3=CC(=O)NS3=O)cc2)n1.COc1cnccc1Oc1cccc2c1CCC2Oc1ccc(C2=CC(=O)NS2=O)cc1.C[C@H](O)CCOc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.O=C1C=C(c2ccc(O[C@@H]3COc4c(Oc5ccncc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3COc4c(Oc5cncs5)cccc43)cc2)S(=O)N1.[C-]#[N+]c1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)nc1
• InChI: InChI=1S/C26H24N2O7S.3C24H20N2O5S.C24H20N2O4S.C23H15N3O5S.C23H18N2O6S.C22H16N2O5S.C20H14N2O5S2/c1-16(29)11-12-32-25-10-9-19(14-27-25)35-21-4-2-3-20-22(15-33-26(20)21)34-18-7-5-17(6-8-18)23-13-24(30)28-36(23)31;1-29-23-6-3-7-24(25-23)31-19-5-2-4-17-18(19)12-13-20(17)30-16-10-8-15(9-11-16)21-14-22(27)26-32(21)28;1-29-17-9-12-24(25-14-17)31-20-4-2-3-18-19(20)10-11-21(18)30-16-7-5-15(6-8-16)22-13-23(27)26-32(22)28;1-29-22-14-25-12-11-21(22)31-19-4-2-3-17-18(19)9-10-20(17)30-16-7-5-15(6-8-16)23-13-24(27)26-32(23)28;1-15-5-8-18(14-25-15)30-21-4-2-3-19-20(21)11-12-22(19)29-17-9-6-16(7-10-17)23-13-24(27)26-31(23)28;1-24-15-7-10-22(25-12-15)31-18-4-2-3-17-19(13-29-23(17)18)30-16-8-5-14(6-9-16)20-11-21(27)26-32(20)28;1-28-16-9-10-22(24-12-16)31-18-4-2-3-17-19(13-29-23(17)18)30-15-7-5-14(6-8-15)20-11-21(26)25-32(20)27;25-21-12-20(30(26)24-21)14-4-6-15(7-5-14)29-19-13-27-22-17(19)2-1-3-18(22)28-16-8-10-23-11-9-16;23-18-8-17(29(24)22-18)12-4-6-13(7-5-12)26-16-10-25-20-14(16)2-1-3-15(20)27-19-9-21-11-28-19/h2-10,13-14,16,22,29H,11-12,15H2,1H3,(H,28,30);2-11,14,20H,12-13H2,1H3,(H,26,27);2-9,12-14,21H,10-11H2,1H3,(H,26,27);2-8,11-14,20H,9-10H2,1H3,(H,26,27);2-10,13-14,22H,11-12H2,1H3,(H,26,27);2-12,19H,13H2,(H,26,27);2-12,19H,13H2,1H3,(H,25,26);1-12,19H,13H2,(H,24,25);1-9,11,16H,10H2,(H,22,23)/t16-,22+,36?;;;;;2*19-,32?;19-,30?;16-,29?/m0....1111/s1
• InChIKey: VKKYNSMVDSUDJU-GREXZZINSA-N
• XLogP: 35.01
• TPSA: 814.57 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 57
• Rotatable Bonds: 53
• Heavy Atoms: 286
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4029.40
LogP ≤ 5	35.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one?

The IUPAC name of 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one (CID 161323304) is 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one.

What is the SMILES notation for 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one is COc1ccc(Oc2cccc3c2CCC3Oc2ccc(C3=CC(=O)NS3=O)cc2)nc1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)nc1.COc1cccc(Oc2cccc3c2CCC3Oc2ccc(C3=CC(=O)NS3=O)cc2)n1.COc1cnccc1Oc1cccc2c1CCC2Oc1ccc(C2=CC(=O)NS2=O)cc1.C[C@H](O)CCOc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.O=C1C=C(c2ccc(O[C@@H]3COc4c(Oc5ccncc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3COc4c(Oc5cncs5)cccc43)cc2)S(=O)N1.[C-]#[N+]c1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)nc1.

What is the InChIKey of 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one?

The InChIKey is VKKYNSMVDSUDJU-GREXZZINSA-N. The full InChI is InChI=1S/C26H24N2O7S.3C24H20N2O5S.C24H20N2O4S.C23H15N3O5S.C23H18N2O6S.C22H16N2O5S.C20H14N2O5S2/c1-16(29)11-12-32-25-10-9-19(14-27-25)35-21-4-2-3-20-22(15-33-26(20)21)34-18-7-5-17(6-8-18)23-13-24(30)28-36(23)31;1-29-23-6-3-7-24(25-23)31-19-5-2-4-17-18(19)12-13-20(17)30-16-10-8-15(9-11-16)21-14-22(27)26-32(21)28;1-29-17-9-12-24(25-14-17)31-20-4-2-3-18-19(20)10-11-21(18)30-16-7-5-15(6-8-16)22-13-23(27)26-32(22)28;1-29-22-14-25-12-11-21(22)31-19-4-2-3-17-18(19)9-10-20(17)30-16-7-5-15(6-8-16)23-13-24(27)26-32(23)28;1-15-5-8-18(14-25-15)30-21-4-2-3-19-20(21)11-12-22(19)29-17-9-6-16(7-10-17)23-13-24(27)26-31(23)28;1-24-15-7-10-22(25-12-15)31-18-4-2-3-17-19(13-29-23(17)18)30-16-8-5-14(6-9-16)20-11-21(27)26-32(20)28;1-28-16-9-10-22(24-12-16)31-18-4-2-3-17-19(13-29-23(17)18)30-15-7-5-14(6-8-15)20-11-21(26)25-32(20)27;25-21-12-20(30(26)24-21)14-4-6-15(7-5-14)29-19-13-27-22-17(19)2-1-3-18(22)28-16-8-10-23-11-9-16;23-18-8-17(29(24)22-18)12-4-6-13(7-5-12)26-16-10-25-20-14(16)2-1-3-15(20)27-19-9-21-11-28-19/h2-10,13-14,16,22,29H,11-12,15H2,1H3,(H,28,30);2-11,14,20H,12-13H2,1H3,(H,26,27);2-9,12-14,21H,10-11H2,1H3,(H,26,27);2-8,11-14,20H,9-10H2,1H3,(H,26,27);2-10,13-14,22H,11-12H2,1H3,(H,26,27);2-12,19H,13H2,(H,26,27);2-12,19H,13H2,1H3,(H,25,26);1-12,19H,13H2,(H,24,25);1-9,11,16H,10H2,(H,22,23)/t16-,22+,36?;;;;;2*19-,32?;19-,30?;16-,29?/m0....1111/s1.

What are the key properties of 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one?

5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one has a molecular weight of 4029.40 g/mol, XLogP of 35.01, 53 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one is sourced from PubChem (CID 161323304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).