2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid

C10H5F3N2O2S — CID 86713864

IUPAC2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H5F3N2O2S/c11-10(12,13)7-3-1-2-5(14-7)8-15-6(4-18-8)9(16)17/h1-4H,(H,16,17)
InChIKeyJZARTDRNENBLGF-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.92
Rot. Bonds2

About 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid

2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 86713864) has the molecular formula C10H5F3N2O2S and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid
PubChem CID86713864
Molecular FormulaC10H5F3N2O2S
Molecular Weight274.22 g/mol
Exact Mass274.00
IUPAC Name2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H5F3N2O2S/c11-10(12,13)7-3-1-2-5(14-7)8-15-6(4-18-8)9(16)17/h1-4H,(H,16,17)
InChIKeyJZARTDRNENBLGF-UHFFFAOYSA-N
XLogP2.92
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid (CID 86713864) is 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JZARTDRNENBLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2S/c11-10(12,13)7-3-1-2-5(14-7)8-15-6(4-18-8)9(16)17/h1-4H,(H,16,17).
What are the key properties of 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid?
2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 274.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86713864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).