2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid

C6H4F3NO3S — CID 141374832

IUPAC2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C6H4F3NO3S/c7-6(8,9)2-13-5-10-1-3(14-5)4(11)12/h1H,2H2,(H,11,12)
InChIKeyHHZQNTKEEYLMHR-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.78
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid

2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid (PubChem CID 141374832) has the molecular formula C6H4F3NO3S and a molecular weight of 227.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid
PubChem CID141374832
Molecular FormulaC6H4F3NO3S
Molecular Weight227.16 g/mol
Exact Mass226.99
IUPAC Name2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C6H4F3NO3S/c7-6(8,9)2-13-5-10-1-3(14-5)4(11)12/h1H,2H2,(H,11,12)
InChIKeyHHZQNTKEEYLMHR-UHFFFAOYSA-N
XLogP1.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 146421536
2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
CID 162148824
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 43333581
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
2-ethoxy-3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782649
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158
2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494
cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one
CID 131090488
2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 86648025

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid (CID 141374832) is 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(OCC(F)(F)F)s1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HHZQNTKEEYLMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3S/c7-6(8,9)2-13-5-10-1-3(14-5)4(11)12/h1H,2H2,(H,11,12).
What are the key properties of 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid?
2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid has a molecular weight of 227.16 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 141374832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).