2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid

C23H19F3N2O3S — CID 11374583

About 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid

2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid (PubChem CID 11374583) has the molecular formula C23H19F3N2O3S and a molecular weight of 460.48 g/mol. Its IUPAC name is 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid
• PubChem CID: 11374583
• Molecular Formula: C23H19F3N2O3S
• Molecular Weight: 460.48 g/mol
• Exact Mass: 460.11
• IUPAC Name: 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)Oc1ccc2c(ccn2CC(=O)O)c1
• InChI: InChI=1S/C23H19F3N2O3S/c1-13-21(32-22(27-13)15-3-5-17(6-4-15)23(24,25)26)14(2)31-18-7-8-19-16(11-18)9-10-28(19)12-20(29)30/h3-11,14H,12H2,1-2H3,(H,29,30)
• InChIKey: SHZWCWDRMUIQMO-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 64.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.48
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid?

The IUPAC name of 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid (CID 11374583) is 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid.

What is the SMILES notation for 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid?

The canonical SMILES for 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)Oc1ccc2c(ccn2CC(=O)O)c1.

What is the InChIKey of 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid?

The InChIKey is SHZWCWDRMUIQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3S/c1-13-21(32-22(27-13)15-3-5-17(6-4-15)23(24,25)26)14(2)31-18-7-8-19-16(11-18)9-10-28(19)12-20(29)30/h3-11,14H,12H2,1-2H3,(H,29,30).

What are the key properties of 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid?

2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid has a molecular weight of 460.48 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11374583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).