1,3-thiazole;2,2,2-trifluoroacetic acid

C5H4F3NO2S — CID 69356067

IUPAC1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cscn1
InChIInChI=1S/C3H3NS.C2HF3O2/c1-2-5-3-4-1;3-2(4,5)1(6)7/h1-3H;(H,6,7)
InChIKeyWANRMOYOAKGOQS-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.78
Rot. Bonds

About 1,3-thiazole;2,2,2-trifluoroacetic acid

1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 69356067) has the molecular formula C5H4F3NO2S and a molecular weight of 199.15 g/mol. Its IUPAC name is 1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID69356067
Molecular FormulaC5H4F3NO2S
Molecular Weight199.15 g/mol
Exact Mass198.99
IUPAC Name1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cscn1
InChIInChI=1S/C3H3NS.C2HF3O2/c1-2-5-3-4-1;3-2(4,5)1(6)7/h1-3H;(H,6,7)
InChIKeyWANRMOYOAKGOQS-UHFFFAOYSA-N
XLogP1.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-thiazole;2,2,2-trifluoroacetic acid (CID 69356067) is 1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-thiazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cscn1.
What is the InChIKey of 1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is WANRMOYOAKGOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS.C2HF3O2/c1-2-5-3-4-1;3-2(4,5)1(6)7/h1-3H;(H,6,7).
What are the key properties of 1,3-thiazole;2,2,2-trifluoroacetic acid?
1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 199.15 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69356067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).