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

C8H8F3NO2S — CID 83959764

IUPAC4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C(F)(F)F)sc1C(=O)O
InChIInChI=1S/C8H8F3NO2S/c1-3(2)4-5(6(13)14)15-7(12-4)8(9,10)11/h3H,1-2H3,(H,13,14)
InChIKeyWISWQMWCHDHIQT-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.98
Rot. Bonds2

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

4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 83959764) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID83959764
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C(F)(F)F)sc1C(=O)O
InChIInChI=1S/C8H8F3NO2S/c1-3(2)4-5(6(13)14)15-7(12-4)8(9,10)11/h3H,1-2H3,(H,13,14)
InChIKeyWISWQMWCHDHIQT-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

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Related Compounds

2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 1486080
2-Methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 70368097
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
4-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 13015604
4-Tert-butyl-1,3-thiazole-5-carboxylic acid
CID 13015605
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 14648765
2-Methyl-4-propyl-5-thiazolecarboxylic acid
CID 14653141
2-Tert-butyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885501
4-Tert-butyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 19885551
5-Thiazolecarboxylic acid, 2-bromo-4-ethyl-
CID 22411065
4-Methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 43155300

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 83959764) is 4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(C(F)(F)F)sc1C(=O)O.
What is the InChIKey of 4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WISWQMWCHDHIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-3(2)4-5(6(13)14)15-7(12-4)8(9,10)11/h3H,1-2H3,(H,13,14).
What are the key properties of 4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
4-propan-2-yl-2-(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 4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83959764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).