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

C7H6F3NO2S — CID 105482750

IUPAC5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
SMILESCCc1sc(C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c1-2-3-4(7(8,9)10)11-5(14-3)6(12)13/h2H2,1H3,(H,12,13)
InChIKeyNGNGKGNXGNJBOM-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.42
Rot. Bonds2

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

5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 105482750) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID105482750
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
SMILESCCc1sc(C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c1-2-3-4(7(8,9)10)11-5(14-3)6(12)13/h2H2,1H3,(H,12,13)
InChIKeyNGNGKGNXGNJBOM-UHFFFAOYSA-N
XLogP2.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(beta-Hydroxyethyl)-4-methylthiazole-2-carboxylic acid
CID 194655
5-Ethyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 57484539
5-Ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 153929277
Ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate
CID 176717793
5-Methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
CID 53404414
2-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266804
5-(1,1-Difluoroethyl)-4-methyl-1,3-thiazole-2-carbaldehyde
CID 83853617
7,7-difluoro-5,6-dihydro-4H-1,3-benzothiazole-2-carboxylic acid
CID 84724442
5-(Fluoromethyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 84766828
5-(Difluoromethyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 84772558
5-(2-Fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 84777168
1-[5-(1,1-Difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanone
CID 84778354

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid (CID 105482750) is 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid is CCc1sc(C(=O)O)nc1C(F)(F)F.
What is the InChIKey of 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is NGNGKGNXGNJBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-2-3-4(7(8,9)10)11-5(14-3)6(12)13/h2H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 225.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 105482750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).