2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid

C140H118F18N12O18S6 — CID 159685863

About 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid

2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid (PubChem CID 159685863) has the molecular formula C140H118F18N12O18S6 and a molecular weight of 2790.92 g/mol. Its IUPAC name is 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid
• PubChem CID: 159685863
• Molecular Formula: C140H118F18N12O18S6
• Molecular Weight: 2790.92 g/mol
• Exact Mass: 2788.67
• IUPAC Name: 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2c(OC(C)(C)C(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(OC(C)(C)C(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2ccc(OC(C)(C)C(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2ccc(OCC(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cccc(OC(C)(C)C(=O)O)c21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cccc(OCC(=O)O)c21
• InChI: InChI=1S/4C24H21F3N2O3S.2C22H17F3N2O3S/c1-14-20(33-21(28-14)16-4-7-17(8-5-16)24(25,26)27)13-29-11-10-15-6-9-18(12-19(15)29)32-23(2,3)22(30)31;1-14-20(33-21(28-14)15-4-6-17(7-5-15)24(25,26)27)13-29-11-10-16-12-18(8-9-19(16)29)32-23(2,3)22(30)31;1-14-20(33-21(28-14)15-7-9-16(10-8-15)24(25,26)27)13-29-12-11-17-18(29)5-4-6-19(17)32-23(2,3)22(30)31;1-14-19(33-21(28-14)16-7-9-17(10-8-16)24(25,26)27)13-29-12-11-15-5-4-6-18(20(15)29)32-23(2,3)22(30)31;1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)11-27-9-8-14-4-7-17(10-18(14)27)30-12-20(28)29;1-13-18(31-21(26-13)15-5-7-16(8-6-15)22(23,24)25)11-27-10-9-14-3-2-4-17(20(14)27)30-12-19(28)29/h4*4-12H,13H2,1-3H3,(H,30,31);2*2-10H,11-12H2,1H3,(H,28,29)
• InChIKey: MVUAMSXROYPBFH-UHFFFAOYSA-N
• XLogP: 36.74
• TPSA: 386.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2790.92
LogP ≤ 5	36.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid?

The IUPAC name of 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid (CID 159685863) is 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid.

What is the SMILES notation for 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid?

The canonical SMILES for 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2c(OC(C)(C)C(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(OC(C)(C)C(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2ccc(OC(C)(C)C(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2ccc(OCC(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cccc(OC(C)(C)C(=O)O)c21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cccc(OCC(=O)O)c21.

What is the InChIKey of 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid?

The InChIKey is MVUAMSXROYPBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H21F3N2O3S.2C22H17F3N2O3S/c1-14-20(33-21(28-14)16-4-7-17(8-5-16)24(25,26)27)13-29-11-10-15-6-9-18(12-19(15)29)32-23(2,3)22(30)31;1-14-20(33-21(28-14)15-4-6-17(7-5-15)24(25,26)27)13-29-11-10-16-12-18(8-9-19(16)29)32-23(2,3)22(30)31;1-14-20(33-21(28-14)15-7-9-16(10-8-15)24(25,26)27)13-29-12-11-17-18(29)5-4-6-19(17)32-23(2,3)22(30)31;1-14-19(33-21(28-14)16-7-9-17(10-8-16)24(25,26)27)13-29-12-11-15-5-4-6-18(20(15)29)32-23(2,3)22(30)31;1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)11-27-9-8-14-4-7-17(10-18(14)27)30-12-20(28)29;1-13-18(31-21(26-13)15-5-7-16(8-6-15)22(23,24)25)11-27-10-9-14-3-2-4-17(20(14)27)30-12-19(28)29/h4*4-12H,13H2,1-3H3,(H,30,31);2*2-10H,11-12H2,1H3,(H,28,29).

What are the key properties of 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid?

2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid has a molecular weight of 2790.92 g/mol, XLogP of 36.74, 36 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]oxyacetic acid is sourced from PubChem (CID 159685863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).