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

C25H28F3NO3S — CID 165116352

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

1-[4-(2-hydroxyethoxy)-2-methylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 165116352) has the molecular formula C25H28F3NO3S and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)-2-methylphenyl]-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-methylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
• PubChem CID: 165116352
• Molecular Formula: C25H28F3NO3S
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.17
• IUPAC Name: 1-[4-(2-hydroxyethoxy)-2-methylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
• SMILES: Cc1cc(OCCO)ccc1C(O)CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C
• InChI: InChI=1S/C25H28F3NO3S/c1-15(2)23-22(33-24(29-23)17-4-6-18(7-5-17)25(26,27)28)11-10-21(31)20-9-8-19(14-16(20)3)32-13-12-30/h4-9,14-15,21,30-31H,10-13H2,1-3H3
• InChIKey: LGGXZLKQUYSKQU-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 62.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)-2-methylphenyl]-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-methylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (CID 165116352) is 1-[4-(2-hydroxyethoxy)-2-methylphenyl]-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-methylphenyl]-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-methylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is Cc1cc(OCCO)ccc1C(O)CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C.

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

The InChIKey is LGGXZLKQUYSKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3NO3S/c1-15(2)23-22(33-24(29-23)17-4-6-18(7-5-17)25(26,27)28)11-10-21(31)20-9-8-19(14-16(20)3)32-13-12-30/h4-9,14-15,21,30-31H,10-13H2,1-3H3.

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

1-[4-(2-hydroxyethoxy)-2-methylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 479.56 g/mol, XLogP of 6.30, 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-methylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 165116352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).