2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C5HF4NO2S — CID 19885531

IUPAC2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(F)nc1C(F)(F)F
InChIInChI=1S/C5HF4NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)
InChIKeySKSKQSCTJBCTKT-UHFFFAOYSA-N
MW215.13 g/mol
LogP2.00
Rot. Bonds1

About 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19885531) has the molecular formula C5HF4NO2S and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19885531
Molecular FormulaC5HF4NO2S
Molecular Weight215.13 g/mol
Exact Mass214.97
IUPAC Name2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(F)nc1C(F)(F)F
InChIInChI=1S/C5HF4NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)
InChIKeySKSKQSCTJBCTKT-UHFFFAOYSA-N
XLogP2.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 19885531) is 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(F)nc1C(F)(F)F.
What is the InChIKey of 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SKSKQSCTJBCTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF4NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12).
What are the key properties of 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 215.13 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).