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

C9H4F3NO3S — CID 82276872

IUPAC2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccco2)nc1C(F)(F)F
InChIInChI=1S/C9H4F3NO3S/c10-9(11,12)6-5(8(14)15)17-7(13-6)4-2-1-3-16-4/h1-3H,(H,14,15)
InChIKeyLYEWBAIWEPJKKG-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.12
Rot. Bonds2

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

2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82276872) has the molecular formula C9H4F3NO3S and a molecular weight of 263.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82276872
Molecular FormulaC9H4F3NO3S
Molecular Weight263.20 g/mol
Exact Mass262.99
IUPAC Name2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccco2)nc1C(F)(F)F
InChIInChI=1S/C9H4F3NO3S/c10-9(11,12)6-5(8(14)15)17-7(13-6)4-2-1-3-16-4/h1-3H,(H,14,15)
InChIKeyLYEWBAIWEPJKKG-UHFFFAOYSA-N
XLogP3.12
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 82276872) is 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ccco2)nc1C(F)(F)F.
What is the InChIKey of 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LYEWBAIWEPJKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO3S/c10-9(11,12)6-5(8(14)15)17-7(13-6)4-2-1-3-16-4/h1-3H,(H,14,15).
What are the key properties of 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 263.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82276872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).