1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol

C17H13F3N2OS — CID 46948304

IUPAC1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)(c1cccnc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C17H13F3N2OS/c1-16(23,13-6-3-7-21-9-13)15-22-14(10-24-15)11-4-2-5-12(8-11)17(18,19)20/h2-10,23H,1H3
InChIKeyVQJQVEBYRZAWKC-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.48
Rot. Bonds3

About 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol

1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol (PubChem CID 46948304) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
PubChem CID46948304
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)(c1cccnc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C17H13F3N2OS/c1-16(23,13-6-3-7-21-9-13)15-22-14(10-24-15)11-4-2-5-12(8-11)17(18,19)20/h2-10,23H,1H3
InChIKeyVQJQVEBYRZAWKC-UHFFFAOYSA-N
XLogP4.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol (CID 46948304) is 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol is CC(O)(c1cccnc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
The InChIKey is VQJQVEBYRZAWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-16(23,13-6-3-7-21-9-13)15-22-14(10-24-15)11-4-2-5-12(8-11)17(18,19)20/h2-10,23H,1H3.
What are the key properties of 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol has a molecular weight of 350.37 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 46948304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).