2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C11H8F3NO3S — CID 171374404

IUPAC2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(O)c(C(F)(F)F)c2)=N1
InChIInChI=1S/C11H8F3NO3S/c12-11(13,14)6-3-5(1-2-8(6)16)9-15-7(4-19-9)10(17)18/h1-3,7,16H,4H2,(H,17,18)
InChIKeyOGJQFFBZTNYLKE-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.36
Rot. Bonds2

About 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 171374404) has the molecular formula C11H8F3NO3S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID171374404
Molecular FormulaC11H8F3NO3S
Molecular Weight291.25 g/mol
Exact Mass291.02
IUPAC Name2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(O)c(C(F)(F)F)c2)=N1
InChIInChI=1S/C11H8F3NO3S/c12-11(13,14)6-3-5(1-2-8(6)16)9-15-7(4-19-9)10(17)18/h1-3,7,16H,4H2,(H,17,18)
InChIKeyOGJQFFBZTNYLKE-UHFFFAOYSA-N
XLogP2.36
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 171374404) is 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)C1CSC(c2ccc(O)c(C(F)(F)F)c2)=N1.
What is the InChIKey of 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is OGJQFFBZTNYLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3S/c12-11(13,14)6-3-5(1-2-8(6)16)9-15-7(4-19-9)10(17)18/h1-3,7,16H,4H2,(H,17,18).
What are the key properties of 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 291.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 171374404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).