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

C7H4F3NO3S — CID 106696324

IUPAC5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C7H4F3NO3S/c1-2(12)4-3(5(13)14)11-6(15-4)7(8,9)10/h1H3,(H,13,14)
InChIKeyCILCTSRWUHLVDY-UHFFFAOYSA-N
MW239.17 g/mol
LogP2.06
Rot. Bonds2

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

5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696324) has the molecular formula C7H4F3NO3S and a molecular weight of 239.17 g/mol. Its IUPAC name is 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106696324
Molecular FormulaC7H4F3NO3S
Molecular Weight239.17 g/mol
Exact Mass238.99
IUPAC Name5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C7H4F3NO3S/c1-2(12)4-3(5(13)14)11-6(15-4)7(8,9)10/h1H3,(H,13,14)
InChIKeyCILCTSRWUHLVDY-UHFFFAOYSA-N
XLogP2.06
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-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

2-Chloro-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 57146915
Ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
CID 50998908
5-Acetyl-2-methyl-1,3-thiazole-4-carboxylic acid
CID 58356418
5-Acetyl-1,3-thiazole-4-carboxylic acid
CID 82378039
4-Ethyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885527
2-Methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 19885541
4-(1-Fluoroethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 85797292
2,4-Bis(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 88612190
2,4-Bis(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 140361929
5-Ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 153929277
4-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 177715913
5-Ethyl-2-methylthiazole-4-carboxylic acid
CID 13835314

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (CID 106696324) is 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(C(F)(F)F)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is CILCTSRWUHLVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3S/c1-2(12)4-3(5(13)14)11-6(15-4)7(8,9)10/h1H3,(H,13,14).
What are the key properties of 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 239.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).