2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid

C24H24F3NO2S2 — CID 58765778

About 2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid

2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid (PubChem CID 58765778) has the molecular formula C24H24F3NO2S2 and a molecular weight of 479.59 g/mol. Its IUPAC name is 2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid
• PubChem CID: 58765778
• Molecular Formula: C24H24F3NO2S2
• Molecular Weight: 479.59 g/mol
• Exact Mass: 479.12
• IUPAC Name: 2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid
• SMILES: CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)CSc1cccc(CC(=O)O)c1
• InChI: InChI=1S/C24H24F3NO2S2/c1-14(2)21-22(15(3)13-31-19-6-4-5-16(11-19)12-20(29)30)32-23(28-21)17-7-9-18(10-8-17)24(25,26)27/h4-11,14-15H,12-13H2,1-3H3,(H,29,30)
• InChIKey: ZFPHFSJQACELDG-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.59
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid (CID 58765778) is 2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid.

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

The canonical SMILES for 2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid is CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)CSc1cccc(CC(=O)O)c1.

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

The InChIKey is ZFPHFSJQACELDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2S2/c1-14(2)21-22(15(3)13-31-19-6-4-5-16(11-19)12-20(29)30)32-23(28-21)17-7-9-18(10-8-17)24(25,26)27/h4-11,14-15H,12-13H2,1-3H3,(H,29,30).

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

2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid has a molecular weight of 479.59 g/mol, XLogP of 7.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenyl]acetic acid is sourced from PubChem (CID 58765778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).