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

C27H30F3NO2S — CID 166026980

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

2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol (PubChem CID 166026980) has the molecular formula C27H30F3NO2S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol.

Molecular Properties

• Compound Name: 2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol
• PubChem CID: 166026980
• Molecular Formula: C27H30F3NO2S
• Molecular Weight: 489.60 g/mol
• Exact Mass: 489.19
• IUPAC Name: 2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol
• SMILES: Cc1cc(C=CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)ccc1OC(C)(C)CO
• InChI: InChI=1S/C27H30F3NO2S/c1-17(2)24-23(34-25(31-24)20-10-12-21(13-11-20)27(28,29)30)8-6-7-19-9-14-22(18(3)15-19)33-26(4,5)16-32/h6-7,9-15,17,32H,8,16H2,1-5H3
• InChIKey: QVFZRVBMTMVVAL-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.60
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol (CID 166026980) is 2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol.

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

The canonical SMILES for 2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol is Cc1cc(C=CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)ccc1OC(C)(C)CO.

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

The InChIKey is QVFZRVBMTMVVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3NO2S/c1-17(2)24-23(34-25(31-24)20-10-12-21(13-11-20)27(28,29)30)8-6-7-19-9-14-22(18(3)15-19)33-26(4,5)16-32/h6-7,9-15,17,32H,8,16H2,1-5H3.

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

2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol has a molecular weight of 489.60 g/mol, XLogP of 7.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol is sourced from PubChem (CID 166026980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).