2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol

C25H26F3NO2S — CID 166026967

About 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol

2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol (PubChem CID 166026967) has the molecular formula C25H26F3NO2S and a molecular weight of 461.55 g/mol. Its IUPAC name is 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol
• PubChem CID: 166026967
• Molecular Formula: C25H26F3NO2S
• Molecular Weight: 461.55 g/mol
• Exact Mass: 461.16
• IUPAC Name: 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol
• SMILES: Cc1cc(C=CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)ccc1OCCO
• InChI: InChI=1S/C25H26F3NO2S/c1-16(2)23-22(6-4-5-18-7-12-21(17(3)15-18)31-14-13-30)32-24(29-23)19-8-10-20(11-9-19)25(26,27)28/h4-5,7-12,15-16,30H,6,13-14H2,1-3H3
• InChIKey: MONRKDHWFHHJAD-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 42.35 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	461.55
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol?

The IUPAC name of 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol (CID 166026967) is 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol.

What is the SMILES notation for 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol?

The canonical SMILES for 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol is Cc1cc(C=CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)ccc1OCCO.

What is the InChIKey of 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol?

The InChIKey is MONRKDHWFHHJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO2S/c1-16(2)23-22(6-4-5-18-7-12-21(17(3)15-18)31-14-13-30)32-24(29-23)19-8-10-20(11-9-19)25(26,27)28/h4-5,7-12,15-16,30H,6,13-14H2,1-3H3.

What are the key properties of 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol?

2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol has a molecular weight of 461.55 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol is sourced from PubChem (CID 166026967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).