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

C128H94F18N12O14S6 — CID 158845144

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

1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-4-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-5-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-6-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-7-carboxylic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid (PubChem CID 158845144) has the molecular formula C128H94F18N12O14S6 and a molecular weight of 2558.60 g/mol. Its IUPAC name is 1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-4-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-5-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-6-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-7-carboxylic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid.

Molecular Properties

• Compound Name: 1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-4-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-5-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-6-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-7-carboxylic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid
• PubChem CID: 158845144
• Molecular Formula: C128H94F18N12O14S6
• Molecular Weight: 2558.60 g/mol
• Exact Mass: 2556.50
• IUPAC Name: 1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-4-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-5-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-6-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-7-carboxylic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2c(C(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2c(OCC(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(C(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(OCC(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2ccc(C(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cccc(C(=O)O)c21
• InChI: InChI=1S/2C22H17F3N2O3S.4C21H15F3N2O2S/c1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)11-27-9-8-15-10-17(6-7-18(15)27)30-12-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)11-27-10-9-16-17(27)3-2-4-18(16)30-12-20(28)29;1-12-18(11-26-9-8-14-10-15(20(27)28)4-7-17(14)26)29-19(25-12)13-2-5-16(6-3-13)21(22,23)24;1-12-18(11-26-9-8-13-2-3-15(20(27)28)10-17(13)26)29-19(25-12)14-4-6-16(7-5-14)21(22,23)24;1-12-18(11-26-10-9-15-16(20(27)28)3-2-4-17(15)26)29-19(25-12)13-5-7-14(8-6-13)21(22,23)24;1-12-17(11-26-10-9-13-3-2-4-16(18(13)26)20(27)28)29-19(25-12)14-5-7-15(8-6-14)21(22,23)24/h2*2-10H,11-12H2,1H3,(H,28,29);4*2-10H,11H2,1H3,(H,27,28)
• InChIKey: IYSPFXDGHWAOCW-UHFFFAOYSA-N
• XLogP: 34.56
• TPSA: 349.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2558.60
LogP ≤ 5	34.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-4-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-5-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-6-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-7-carboxylic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid (CID 158845144) is 1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-4-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-5-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-6-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-7-carboxylic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid.

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

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

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

The InChIKey is IYSPFXDGHWAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17F3N2O3S.4C21H15F3N2O2S/c1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)11-27-9-8-15-10-17(6-7-18(15)27)30-12-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)11-27-10-9-16-17(27)3-2-4-18(16)30-12-20(28)29;1-12-18(11-26-9-8-14-10-15(20(27)28)4-7-17(14)26)29-19(25-12)13-2-5-16(6-3-13)21(22,23)24;1-12-18(11-26-9-8-13-2-3-15(20(27)28)10-17(13)26)29-19(25-12)14-4-6-16(7-5-14)21(22,23)24;1-12-18(11-26-10-9-15-16(20(27)28)3-2-4-17(15)26)29-19(25-12)13-5-7-14(8-6-13)21(22,23)24;1-12-17(11-26-10-9-13-3-2-4-16(18(13)26)20(27)28)29-19(25-12)14-5-7-15(8-6-14)21(22,23)24/h2*2-10H,11-12H2,1H3,(H,28,29);4*2-10H,11H2,1H3,(H,27,28).

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

1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-4-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-5-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-6-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-7-carboxylic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid has a molecular weight of 2558.60 g/mol, XLogP of 34.56, 28 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-4-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-5-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-6-carboxylic acid;1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indole-7-carboxylic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid is sourced from PubChem (CID 158845144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).