ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid

C129H139F9N10O20S5 — CID 173258990

About ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid

ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid (PubChem CID 173258990) has the molecular formula C129H139F9N10O20S5 and a molecular weight of 2480.90 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid.

Molecular Properties

• Compound Name: ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid
• PubChem CID: 173258990
• Molecular Formula: C129H139F9N10O20S5
• Molecular Weight: 2480.90 g/mol
• Exact Mass: 2478.86
• IUPAC Name: ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid
• SMILES: CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)cc1.CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2sc(-c3ccc(C(C)C)cc3)nc2C)cc1C.CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C.Cc1cc(CNC(=O)c2sc(-c3ccc(C(C)C)cc3)nc2C)ccc1OC(C)(C)C(=O)O.Cc1cc(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(C)(C)C(=O)O
• InChI: InChI=1S/C28H34N2O4S.C26H27F3N2O4S.C26H30N2O4S.C25H25F3N2O4S.C24H23F3N2O4S/c1-8-33-27(32)28(6,7)34-23-14-9-20(15-18(23)4)16-29-25(31)24-19(5)30-26(35-24)22-12-10-21(11-13-22)17(2)3;1-6-34-24(33)25(4,5)35-20-12-7-17(13-15(20)2)14-30-22(32)21-16(3)31-23(36-21)18-8-10-19(11-9-18)26(27,28)29;1-15(2)19-8-10-20(11-9-19)24-28-17(4)22(33-24)23(29)27-14-18-7-12-21(16(3)13-18)32-26(5,6)25(30)31;1-5-33-23(32)24(3,4)34-19-12-6-16(7-13-19)14-29-21(31)20-15(2)35-22(30-20)17-8-10-18(11-9-17)25(26,27)28;1-13-11-15(5-10-18(13)33-23(3,4)22(31)32)12-28-20(30)19-14(2)29-21(34-19)16-6-8-17(9-7-16)24(25,26)27/h9-15,17H,8,16H2,1-7H3,(H,29,31);7-13H,6,14H2,1-5H3,(H,30,32);7-13,15H,14H2,1-6H3,(H,27,29)(H,30,31);6-13H,5,14H2,1-4H3,(H,29,31);5-11H,12H2,1-4H3,(H,28,30)(H,31,32)
• InChIKey: NFWRTSXFGBBZMD-UHFFFAOYSA-N
• XLogP: 29.42
• TPSA: 409.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2480.90
LogP ≤ 5	29.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid?

The IUPAC name of ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid (CID 173258990) is ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid.

What is the SMILES notation for ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid?

The canonical SMILES for ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid is CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)cc1.CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2sc(-c3ccc(C(C)C)cc3)nc2C)cc1C.CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C.Cc1cc(CNC(=O)c2sc(-c3ccc(C(C)C)cc3)nc2C)ccc1OC(C)(C)C(=O)O.Cc1cc(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(C)(C)C(=O)O.

What is the InChIKey of ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid?

The InChIKey is NFWRTSXFGBBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4S.C26H27F3N2O4S.C26H30N2O4S.C25H25F3N2O4S.C24H23F3N2O4S/c1-8-33-27(32)28(6,7)34-23-14-9-20(15-18(23)4)16-29-25(31)24-19(5)30-26(35-24)22-12-10-21(11-13-22)17(2)3;1-6-34-24(33)25(4,5)35-20-12-7-17(13-15(20)2)14-30-22(32)21-16(3)31-23(36-21)18-8-10-19(11-9-18)26(27,28)29;1-15(2)19-8-10-20(11-9-19)24-28-17(4)22(33-24)23(29)27-14-18-7-12-21(16(3)13-18)32-26(5,6)25(30)31;1-5-33-23(32)24(3,4)34-19-12-6-16(7-13-19)14-29-21(31)20-15(2)35-22(30-20)17-8-10-18(11-9-17)25(26,27)28;1-13-11-15(5-10-18(13)33-23(3,4)22(31)32)12-28-20(30)19-14(2)29-21(34-19)16-6-8-17(9-7-16)24(25,26)27/h9-15,17H,8,16H2,1-7H3,(H,29,31);7-13H,6,14H2,1-5H3,(H,30,32);7-13,15H,14H2,1-6H3,(H,27,29)(H,30,31);6-13H,5,14H2,1-4H3,(H,29,31);5-11H,12H2,1-4H3,(H,28,30)(H,31,32).

What are the key properties of ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid?

ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid has a molecular weight of 2480.90 g/mol, XLogP of 29.42, 40 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate;ethyl 2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoate;2-methyl-2-[2-methyl-4-[[[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid;2-methyl-2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 173258990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).