4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid

C10H13F3N2O2S — CID 55113233

IUPAC4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(CC)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C10H13F3N2O2S/c1-3-6-7(8(16)17)18-9(14-6)15(4-2)5-10(11,12)13/h3-5H2,1-2H3,(H,16,17)
InChIKeyKRLGVYOIMOJCNL-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.79
Rot. Bonds5

About 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid

4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 55113233) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID55113233
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(CC)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C10H13F3N2O2S/c1-3-6-7(8(16)17)18-9(14-6)15(4-2)5-10(11,12)13/h3-5H2,1-2H3,(H,16,17)
InChIKeyKRLGVYOIMOJCNL-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 55113233) is 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is CCc1nc(N(CC)CC(F)(F)F)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is KRLGVYOIMOJCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-6-7(8(16)17)18-9(14-6)15(4-2)5-10(11,12)13/h3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 55113233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).