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

C24H21F3N2O3S — CID 58677180

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

2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid (PubChem CID 58677180) has the molecular formula C24H21F3N2O3S and a molecular weight of 474.50 g/mol. Its IUPAC name is 2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid
• PubChem CID: 58677180
• Molecular Formula: C24H21F3N2O3S
• Molecular Weight: 474.50 g/mol
• Exact Mass: 474.12
• IUPAC Name: 2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid
• SMILES: Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1[C@@H](C)COc1ccc2c(ccn2CC(=O)O)c1
• InChI: InChI=1S/C24H21F3N2O3S/c1-14(13-32-19-7-8-20-17(11-19)9-10-29(20)12-21(30)31)22-15(2)33-23(28-22)16-3-5-18(6-4-16)24(25,26)27/h3-11,14H,12-13H2,1-2H3,(H,30,31)/t14-/m0/s1
• InChIKey: SJEHMZANKWYKST-AWEZNQCLSA-N
• XLogP: 6.36
• TPSA: 64.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.50
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid (CID 58677180) is 2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid.

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

The canonical SMILES for 2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid is Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1[C@@H](C)COc1ccc2c(ccn2CC(=O)O)c1.

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

The InChIKey is SJEHMZANKWYKST-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H21F3N2O3S/c1-14(13-32-19-7-8-20-17(11-19)9-10-29(20)12-21(30)31)22-15(2)33-23(28-22)16-3-5-18(6-4-16)24(25,26)27/h3-11,14H,12-13H2,1-2H3,(H,30,31)/t14-/m0/s1.

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

2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid has a molecular weight of 474.50 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 58677180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).