2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid

C12H8F3NO2S — CID 174610478

IUPAC2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1ncsc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-1-2-7(4-8)11-9(5-10(17)18)16-6-19-11/h1-4,6H,5H2,(H,17,18)
InChIKeyJSZIWPWINAXTBX-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.46
Rot. Bonds3

About 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid

2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 174610478) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID174610478
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1ncsc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-1-2-7(4-8)11-9(5-10(17)18)16-6-19-11/h1-4,6H,5H2,(H,17,18)
InChIKeyJSZIWPWINAXTBX-UHFFFAOYSA-N
XLogP3.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid (CID 174610478) is 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1ncsc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is JSZIWPWINAXTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-1-2-7(4-8)11-9(5-10(17)18)16-6-19-11/h1-4,6H,5H2,(H,17,18).
What are the key properties of 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid?
2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 287.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 174610478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).