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

C9H4F3NO2S2 — CID 82276873

IUPAC2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C9H4F3NO2S2/c10-9(11,12)6-5(8(14)15)17-7(13-6)4-2-1-3-16-4/h1-3H,(H,14,15)
InChIKeyYRQDJVGTZBWHQM-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.59
Rot. Bonds2

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

2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82276873) has the molecular formula C9H4F3NO2S2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82276873
Molecular FormulaC9H4F3NO2S2
Molecular Weight279.26 g/mol
Exact Mass278.96
IUPAC Name2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C9H4F3NO2S2/c10-9(11,12)6-5(8(14)15)17-7(13-6)4-2-1-3-16-4/h1-3H,(H,14,15)
InChIKeyYRQDJVGTZBWHQM-UHFFFAOYSA-N
XLogP3.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-thiophen-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

Related Compounds

CID 163255982
CID 163255982
2-(5-chloro-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 107124594
2-(4-ethylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82308450
2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276870
2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114553888
2-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82064502
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
CID 81341188
2-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114905340
2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 18708311
2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 68770175
2-(2-cyano-4-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 156772337

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 82276873) is 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2cccs2)nc1C(F)(F)F.
What is the InChIKey of 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YRQDJVGTZBWHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2S2/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-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82276873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).