ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C111H116N12O17S7 — CID 160923521

About ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 160923521) has the molecular formula C111H116N12O17S7 and a molecular weight of 2114.68 g/mol. Its IUPAC name is ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 160923521
• Molecular Formula: C111H116N12O17S7
• Molecular Weight: 2114.68 g/mol
• Exact Mass: 2112.66
• IUPAC Name: ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: CC.CC(C)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cc1cc(-c2nc(CCOc3ccc(CC4SC(=O)NC4=O)c4sccc34)c(C)o2)cc(C)c1C.Cc1ccc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cc1ccnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12
• InChI: InChI=1S/C27H26N2O4S2.C24H20N2O4S2.C20H22N2O3S.2C19H21N3O3S.C2H6/c1-14-11-19(12-15(2)16(14)3)26-28-21(17(4)33-26)7-9-32-22-6-5-18(24-20(22)8-10-34-24)13-23-25(30)29-27(31)35-23;1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20;1-13(2)15-5-6-16(21-12-15)9-10-25-17-7-3-14(4-8-17)11-18-19(23)22-20(24)26-18;1-13-3-8-17(20-12-13)22(2)9-10-25-15-6-4-14(5-7-15)11-16-18(23)21-19(24)26-16;1-13-7-8-20-17(11-13)22(2)9-10-25-15-5-3-14(4-6-15)12-16-18(23)21-19(24)26-16;1-2/h5-6,8,10-12,23H,7,9,13H2,1-4H3,(H,29,30,31);2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28);3-8,12-13,18H,9-11H2,1-2H3,(H,22,23,24);3-8,12,16H,9-11H2,1-2H3,(H,21,23,24);3-8,11,16H,9-10,12H2,1-2H3,(H,21,23,24);1-2H3
• InChIKey: SSILEWZIFLFPKK-UHFFFAOYSA-N
• XLogP: 22.03
• TPSA: 374.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2114.68
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 160923521) is ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CC.CC(C)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cc1cc(-c2nc(CCOc3ccc(CC4SC(=O)NC4=O)c4sccc34)c(C)o2)cc(C)c1C.Cc1ccc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cc1ccnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12.

What is the InChIKey of ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is SSILEWZIFLFPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S2.C24H20N2O4S2.C20H22N2O3S.2C19H21N3O3S.C2H6/c1-14-11-19(12-15(2)16(14)3)26-28-21(17(4)33-26)7-9-32-22-6-5-18(24-20(22)8-10-34-24)13-23-25(30)29-27(31)35-23;1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20;1-13(2)15-5-6-16(21-12-15)9-10-25-17-7-3-14(4-8-17)11-18-19(23)22-20(24)26-18;1-13-3-8-17(20-12-13)22(2)9-10-25-15-6-4-14(5-7-15)11-16-18(23)21-19(24)26-16;1-13-7-8-20-17(11-13)22(2)9-10-25-15-5-3-14(4-6-15)12-16-18(23)21-19(24)26-16;1-2/h5-6,8,10-12,23H,7,9,13H2,1-4H3,(H,29,30,31);2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28);3-8,12-13,18H,9-11H2,1-2H3,(H,22,23,24);3-8,12,16H,9-11H2,1-2H3,(H,21,23,24);3-8,11,16H,9-10,12H2,1-2H3,(H,21,23,24);1-2H3.

What are the key properties of ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 2114.68 g/mol, XLogP of 22.03, 35 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 160923521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).