5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one

C163H167N9O27S6 — CID 161082383

About 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one

5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 161082383) has the molecular formula C163H167N9O27S6 and a molecular weight of 2876.57 g/mol. Its IUPAC name is 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
• PubChem CID: 161082383
• Molecular Formula: C163H167N9O27S6
• Molecular Weight: 2876.57 g/mol
• Exact Mass: 2874.03
• IUPAC Name: 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
• SMILES: Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1C.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1C.Cc1cc(OCCC(C)(C)O)ncc1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1C.Cc1cccc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3(=O)=O)cc2)c1.Cc1cccc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1C
• InChI: InChI=1S/C30H33NO5S.C29H32N2O5S.2C28H30N2O5S.C24H21NO4S.C24H21NO3S/c1-19-15-25(35-14-13-30(4,5)33)16-20(2)29(19)26-8-6-7-23(21(26)3)18-36-24-11-9-22(10-12-24)27-17-28(32)31-37(27)34;1-18-15-27(35-14-13-29(4,5)33)30-20(3)28(18)24-8-6-7-22(19(24)2)17-36-23-11-9-21(10-12-23)25-16-26(32)31-37(25)34;1-18-14-27(34-13-12-28(3,4)32)29-16-24(18)23-7-5-6-21(19(23)2)17-35-22-10-8-20(9-11-22)25-15-26(31)30-36(25)33;1-18-21(17-35-22-10-8-20(9-11-22)25-16-26(31)30-36(25)33)6-5-7-23(18)24-12-13-27(29-19(24)2)34-15-14-28(3,4)32;1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-29-21-11-9-19(10-12-21)22-14-23(26)25-30(22,27)28;1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-28-21-11-9-19(10-12-21)22-14-23(26)25-29(22)27/h6-12,15-17,33H,13-14,18H2,1-5H3,(H,31,32);6-12,15-16,33H,13-14,17H2,1-5H3,(H,31,32);5-11,14-16,32H,12-13,17H2,1-4H3,(H,30,31);5-13,16,32H,14-15,17H2,1-4H3,(H,30,31);3-14H,15H2,1-2H3,(H,25,26);3-14H,15H2,1-2H3,(H,25,26)
• InChIKey: UGBQIUCSWOXGBF-UHFFFAOYSA-N
• XLogP: 28.73
• TPSA: 505.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 46
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2876.57
LogP ≤ 5	28.73
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The IUPAC name of 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 161082383) is 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one.

What is the SMILES notation for 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one is Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1C.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1C.Cc1cc(OCCC(C)(C)O)ncc1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1C.Cc1cccc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3(=O)=O)cc2)c1.Cc1cccc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1C.

What is the InChIKey of 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The InChIKey is UGBQIUCSWOXGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO5S.C29H32N2O5S.2C28H30N2O5S.C24H21NO4S.C24H21NO3S/c1-19-15-25(35-14-13-30(4,5)33)16-20(2)29(19)26-8-6-7-23(21(26)3)18-36-24-11-9-22(10-12-24)27-17-28(32)31-37(27)34;1-18-15-27(35-14-13-29(4,5)33)30-20(3)28(18)24-8-6-7-22(19(24)2)17-36-23-11-9-21(10-12-23)25-16-26(32)31-37(25)34;1-18-14-27(34-13-12-28(3,4)32)29-16-24(18)23-7-5-6-21(19(23)2)17-35-22-10-8-20(9-11-22)25-15-26(31)30-36(25)33;1-18-21(17-35-22-10-8-20(9-11-22)25-16-26(31)30-36(25)33)6-5-7-23(18)24-12-13-27(29-19(24)2)34-15-14-28(3,4)32;1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-29-21-11-9-19(10-12-21)22-14-23(26)25-30(22,27)28;1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-28-21-11-9-19(10-12-21)22-14-23(26)25-29(22)27/h6-12,15-17,33H,13-14,18H2,1-5H3,(H,31,32);6-12,15-16,33H,13-14,17H2,1-5H3,(H,31,32);5-11,14-16,32H,12-13,17H2,1-4H3,(H,30,31);5-13,16,32H,14-15,17H2,1-4H3,(H,30,31);3-14H,15H2,1-2H3,(H,25,26);3-14H,15H2,1-2H3,(H,25,26).

What are the key properties of 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?

5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 2876.57 g/mol, XLogP of 28.73, 46 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1,1-dioxo-1,2-thiazol-3-one;5-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 161082383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).