2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid

C26H25F3N2O3S — CID 11191292

About 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid

2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid (PubChem CID 11191292) has the molecular formula C26H25F3N2O3S and a molecular weight of 502.56 g/mol. Its IUPAC name is 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid
• PubChem CID: 11191292
• Molecular Formula: C26H25F3N2O3S
• Molecular Weight: 502.56 g/mol
• Exact Mass: 502.15
• IUPAC Name: 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid
• SMILES: CCCc1cn(CC(=O)O)c2cc(OCCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc12
• InChI: InChI=1S/C26H25F3N2O3S/c1-3-4-18-14-31(15-24(32)33)22-13-20(9-10-21(18)22)34-12-11-23-16(2)30-25(35-23)17-5-7-19(8-6-17)26(27,28)29/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,32,33)
• InChIKey: CPTSVVNZGDJUGJ-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 64.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.56
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid?

The IUPAC name of 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid (CID 11191292) is 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid.

What is the SMILES notation for 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid?

The canonical SMILES for 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid is CCCc1cn(CC(=O)O)c2cc(OCCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc12.

What is the InChIKey of 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid?

The InChIKey is CPTSVVNZGDJUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O3S/c1-3-4-18-14-31(15-24(32)33)22-13-20(9-10-21(18)22)34-12-11-23-16(2)30-25(35-23)17-5-7-19(8-6-17)26(27,28)29/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,32,33).

What are the key properties of 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid?

2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid has a molecular weight of 502.56 g/mol, XLogP of 6.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]-3-propylindol-1-yl]acetic acid is sourced from PubChem (CID 11191292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).