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

C25H23F3N2O3S — CID 11431777

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

2-[6-[2-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid (PubChem CID 11431777) has the molecular formula C25H23F3N2O3S and a molecular weight of 488.53 g/mol. Its IUPAC name is 2-[6-[2-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[6-[2-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid
• PubChem CID: 11431777
• Molecular Formula: C25H23F3N2O3S
• Molecular Weight: 488.53 g/mol
• Exact Mass: 488.14
• IUPAC Name: 2-[6-[2-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(Oc1ccc2ccn(CC(=O)O)c2c1)C(C)C
• InChI: InChI=1S/C25H23F3N2O3S/c1-14(2)22(33-19-9-6-16-10-11-30(13-21(31)32)20(16)12-19)23-15(3)29-24(34-23)17-4-7-18(8-5-17)25(26,27)28/h4-12,14,22H,13H2,1-3H3,(H,31,32)
• InChIKey: UAPXDPKJGPDGJC-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 64.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.53
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[6-[2-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid (CID 11431777) is 2-[6-[2-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid.

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

The canonical SMILES for 2-[6-[2-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(Oc1ccc2ccn(CC(=O)O)c2c1)C(C)C.

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

The InChIKey is UAPXDPKJGPDGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3S/c1-14(2)22(33-19-9-6-16-10-11-30(13-21(31)32)20(16)12-19)23-15(3)29-24(34-23)17-4-7-18(8-5-17)25(26,27)28/h4-12,14,22H,13H2,1-3H3,(H,31,32).

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

2-[6-[2-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid has a molecular weight of 488.53 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11431777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).