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

C136H130N8O32S8 — CID 159061186

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

5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-methylsulfonylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 159061186) has the molecular formula C136H130N8O32S8 and a molecular weight of 2645.10 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-methylsulfonylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-methylsulfonylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• PubChem CID: 159061186
• Molecular Formula: C136H130N8O32S8
• Molecular Weight: 2645.10 g/mol
• Exact Mass: 2642.66
• IUPAC Name: 5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-methylsulfonylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• SMILES: CC(C)(O)CCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cc1.COc1cc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)ccn1.CS(=O)(=O)CCCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cc1.CS(=O)(=O)CCCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.Cc1nc(OCCCS(C)(=O)=O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1
• InChI: InChI=1S/C29H29NO6S.C28H28N2O7S2.C28H27NO7S2.C27H26N2O7S2.C24H20N2O5S/c1-29(2,32)16-17-34-20-10-12-22(13-11-20)35-25-5-3-4-23-24(25)14-15-26(23)36-21-8-6-19(7-9-21)27-18-28(31)30-37(27)33;1-18-23(13-14-28(29-18)35-15-4-16-39(2,33)34)37-24-6-3-5-21-22(24)11-12-25(21)36-20-9-7-19(8-10-20)26-17-27(31)30-38(26)32;1-38(32,33)17-3-16-34-20-10-12-22(13-11-20)35-25-5-2-4-23-24(25)14-15-26(23)36-21-8-6-19(7-9-21)27-18-28(30)29-37(27)31;1-38(32,33)15-3-14-34-27-13-10-20(17-28-27)36-23-5-2-4-21-22(23)11-12-24(21)35-19-8-6-18(7-9-19)25-16-26(30)29-37(25)31;1-29-24-13-17(11-12-25-24)31-20-4-2-3-18-19(20)9-10-21(18)30-16-7-5-15(6-8-16)22-14-23(27)26-32(22)28/h3-13,18,26,32H,14-17H2,1-2H3,(H,30,31);3,5-10,13-14,17,25H,4,11-12,15-16H2,1-2H3,(H,30,31);2,4-13,18,26H,3,14-17H2,1H3,(H,29,30);2,4-10,13,16-17,24H,3,11-12,14-15H2,1H3,(H,29,30);2-8,11-14,21H,9-10H2,1H3,(H,26,27)/t26-,37?;25-,38?;26-,37?;24-,37?;21-,32?/m11111/s1
• InChIKey: JYMJAIPECOIKNQ-AFMALENMSA-N
• XLogP: 21.88
• TPSA: 530.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 45
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2645.10
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

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

The IUPAC name of 5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-methylsulfonylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 159061186) is 5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-methylsulfonylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one.

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

The canonical SMILES for 5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-methylsulfonylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is CC(C)(O)CCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cc1.COc1cc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)ccn1.CS(=O)(=O)CCCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cc1.CS(=O)(=O)CCCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.Cc1nc(OCCCS(C)(=O)=O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1.

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

The InChIKey is JYMJAIPECOIKNQ-AFMALENMSA-N. The full InChI is InChI=1S/C29H29NO6S.C28H28N2O7S2.C28H27NO7S2.C27H26N2O7S2.C24H20N2O5S/c1-29(2,32)16-17-34-20-10-12-22(13-11-20)35-25-5-3-4-23-24(25)14-15-26(23)36-21-8-6-19(7-9-21)27-18-28(31)30-37(27)33;1-18-23(13-14-28(29-18)35-15-4-16-39(2,33)34)37-24-6-3-5-21-22(24)11-12-25(21)36-20-9-7-19(8-10-20)26-17-27(31)30-38(26)32;1-38(32,33)17-3-16-34-20-10-12-22(13-11-20)35-25-5-2-4-23-24(25)14-15-26(23)36-21-8-6-19(7-9-21)27-18-28(30)29-37(27)31;1-38(32,33)15-3-14-34-27-13-10-20(17-28-27)36-23-5-2-4-21-22(23)11-12-24(21)35-19-8-6-18(7-9-19)25-16-26(30)29-37(25)31;1-29-24-13-17(11-12-25-24)31-20-4-2-3-18-19(20)9-10-21(18)30-16-7-5-15(6-8-16)22-14-23(27)26-32(22)28/h3-13,18,26,32H,14-17H2,1-2H3,(H,30,31);3,5-10,13-14,17,25H,4,11-12,15-16H2,1-2H3,(H,30,31);2,4-13,18,26H,3,14-17H2,1H3,(H,29,30);2,4-10,13,16-17,24H,3,11-12,14-15H2,1H3,(H,29,30);2-8,11-14,21H,9-10H2,1H3,(H,26,27)/t26-,37?;25-,38?;26-,37?;24-,37?;21-,32?/m11111/s1.

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

5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-methylsulfonylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 2645.10 g/mol, XLogP of 21.88, 45 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[4-(3-methylsulfonylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 159061186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).