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

C8H8F3NO2S — CID 19885559

IUPAC2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C8H8F3NO2S/c1-3(2)6-12-5(8(9,10)11)4(15-6)7(13)14/h3H,1-2H3,(H,13,14)
InChIKeyYWACWYJVVVFCPY-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.98
Rot. Bonds2

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

2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19885559) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19885559
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C8H8F3NO2S/c1-3(2)6-12-5(8(9,10)11)4(15-6)7(13)14/h3H,1-2H3,(H,13,14)
InChIKeyYWACWYJVVVFCPY-UHFFFAOYSA-N
XLogP2.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propan-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

Dimethyl-1,3-thiazole-5-carboxylic acid
CID 736488
2-Chloro-4-methyl-1,3-thiazole-5-carboxylic acid
CID 666960
2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2824058
2-Cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 23020345
2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 13835292
2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 1486080
2-Chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 13282743
4-Methyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 13835293
4-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 15093930
4-Methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 10899900
2-Ethoxy-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885484
2-Tert-butyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885501

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 19885559) is 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YWACWYJVVVFCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-3(2)6-12-5(8(9,10)11)4(15-6)7(13)14/h3H,1-2H3,(H,13,14).
What are the key properties of 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 239.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).