1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol

C26H30F3NO3S — CID 169045168

About 1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol

1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 169045168) has the molecular formula C26H30F3NO3S and a molecular weight of 493.59 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

• Compound Name: 1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
• PubChem CID: 169045168
• Molecular Formula: C26H30F3NO3S
• Molecular Weight: 493.59 g/mol
• Exact Mass: 493.19
• IUPAC Name: 1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
• SMILES: Cc1cc(C(O)CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)c(C)cc1OCCO
• InChI: InChI=1S/C26H30F3NO3S/c1-15(2)24-23(34-25(30-24)18-5-7-19(8-6-18)26(27,28)29)10-9-21(32)20-13-17(4)22(14-16(20)3)33-12-11-31/h5-8,13-15,21,31-32H,9-12H2,1-4H3
• InChIKey: WGPRVCUHUMTRKZ-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 62.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.59
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (CID 169045168) is 1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol.

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

The canonical SMILES for 1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is Cc1cc(C(O)CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)c(C)cc1OCCO.

What is the InChIKey of 1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?

The InChIKey is WGPRVCUHUMTRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3NO3S/c1-15(2)24-23(34-25(30-24)18-5-7-19(8-6-18)26(27,28)29)10-9-21(32)20-13-17(4)22(14-16(20)3)33-12-11-31/h5-8,13-15,21,31-32H,9-12H2,1-4H3.

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

1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 493.59 g/mol, XLogP of 6.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-hydroxyethoxy)-2,5-dimethylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 169045168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).