3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole

C10H8F3NO2S2 — CID 159130894

IUPAC3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole
SMILESCc1ccsc1C(=O)O.FC(F)(F)c1cscn1
InChIInChI=1S/C6H6O2S.C4H2F3NS/c1-4-2-3-9-5(4)6(7)8;5-4(6,7)3-1-9-2-8-3/h2-3H,1H3,(H,7,8);1-2H
InChIKeyKGWLTBYVULLNQF-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.92
Rot. Bonds1

About 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole

3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole (PubChem CID 159130894) has the molecular formula C10H8F3NO2S2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole
PubChem CID159130894
Molecular FormulaC10H8F3NO2S2
Molecular Weight295.31 g/mol
Exact Mass294.99
IUPAC Name3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole
SMILESCc1ccsc1C(=O)O.FC(F)(F)c1cscn1
InChIInChI=1S/C6H6O2S.C4H2F3NS/c1-4-2-3-9-5(4)6(7)8;5-4(6,7)3-1-9-2-8-3/h2-3H,1H3,(H,7,8);1-2H
InChIKeyKGWLTBYVULLNQF-UHFFFAOYSA-N
XLogP3.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole 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 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole (CID 159130894) is 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole is Cc1ccsc1C(=O)O.FC(F)(F)c1cscn1.
What is the InChIKey of 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is KGWLTBYVULLNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S.C4H2F3NS/c1-4-2-3-9-5(4)6(7)8;5-4(6,7)3-1-9-2-8-3/h2-3H,1H3,(H,7,8);1-2H.
What are the key properties of 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole?
3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 295.31 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthiophene-2-carboxylic acid;4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 159130894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).