5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one

C133H122F3N9O28S5 — CID 161390425

About 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one

5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (PubChem CID 161390425) has the molecular formula C133H122F3N9O28S5 and a molecular weight of 2511.80 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
• PubChem CID: 161390425
• Molecular Formula: C133H122F3N9O28S5
• Molecular Weight: 2511.80 g/mol
• Exact Mass: 2509.70
• IUPAC Name: 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
• SMILES: CC(C)(O)CCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.CCOCCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.COc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(Oc5cccc(OC(F)(F)F)c5)cccc43)cc2)S(=O)N1
• InChI: InChI=1S/C29H30N2O6S.C28H28N2O6S.C27H26N2O6S.C25H18F3NO5S.C24H20N2O5S/c1-18-23(13-14-28(30-18)35-16-15-29(2,3)33)37-24-6-4-5-21-22(24)11-12-25(21)36-20-9-7-19(8-10-20)26-17-27(32)31-38(26)34;1-28(2,32)14-15-34-27-13-10-20(17-29-27)36-23-5-3-4-21-22(23)11-12-24(21)35-19-8-6-18(7-9-19)25-16-26(31)30-37(25)33;1-2-32-14-15-33-27-13-10-20(17-28-27)35-23-5-3-4-21-22(23)11-12-24(21)34-19-8-6-18(7-9-19)25-16-26(30)29-36(25)31;26-25(27,28)34-18-4-1-3-17(13-18)33-21-6-2-5-19-20(21)11-12-22(19)32-16-9-7-15(8-10-16)23-14-24(30)29-35(23)31;1-29-24-12-9-17(14-25-24)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/h4-10,13-14,17,25,33H,11-12,15-16H2,1-3H3,(H,31,32);3-10,13,16-17,24,32H,11-12,14-15H2,1-2H3,(H,30,31);3-10,13,16-17,24H,2,11-12,14-15H2,1H3,(H,29,30);1-10,13-14,22H,11-12H2,(H,29,30);2-9,12-14,21H,10-11H2,1H3,(H,26,27)/t25-,38?;24-,37?;24-,36?;22-,35?;21-,32?/m11111/s1
• InChIKey: VSXMFCQSFAHSMF-BFJLOYFESA-N
• XLogP: 23.69
• TPSA: 470.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 40
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2511.80
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?

The IUPAC name of 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (CID 161390425) is 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.

What is the SMILES notation for 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is CC(C)(O)CCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.CCOCCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.COc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(Oc5cccc(OC(F)(F)F)c5)cccc43)cc2)S(=O)N1.

What is the InChIKey of 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?

The InChIKey is VSXMFCQSFAHSMF-BFJLOYFESA-N. The full InChI is InChI=1S/C29H30N2O6S.C28H28N2O6S.C27H26N2O6S.C25H18F3NO5S.C24H20N2O5S/c1-18-23(13-14-28(30-18)35-16-15-29(2,3)33)37-24-6-4-5-21-22(24)11-12-25(21)36-20-9-7-19(8-10-20)26-17-27(32)31-38(26)34;1-28(2,32)14-15-34-27-13-10-20(17-29-27)36-23-5-3-4-21-22(23)11-12-24(21)35-19-8-6-18(7-9-19)25-16-26(31)30-37(25)33;1-2-32-14-15-33-27-13-10-20(17-28-27)35-23-5-3-4-21-22(23)11-12-24(21)34-19-8-6-18(7-9-19)25-16-26(30)29-36(25)31;26-25(27,28)34-18-4-1-3-17(13-18)33-21-6-2-5-19-20(21)11-12-22(19)32-16-9-7-15(8-10-16)23-14-24(30)29-35(23)31;1-29-24-12-9-17(14-25-24)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/h4-10,13-14,17,25,33H,11-12,15-16H2,1-3H3,(H,31,32);3-10,13,16-17,24,32H,11-12,14-15H2,1-2H3,(H,30,31);3-10,13,16-17,24H,2,11-12,14-15H2,1H3,(H,29,30);1-10,13-14,22H,11-12H2,(H,29,30);2-9,12-14,21H,10-11H2,1H3,(H,26,27)/t25-,38?;24-,37?;24-,36?;22-,35?;21-,32?/m11111/s1.

What are the key properties of 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?

5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one has a molecular weight of 2511.80 g/mol, XLogP of 23.69, 40 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(1R)-4-[[6-(2-ethoxyethoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is sourced from PubChem (CID 161390425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).