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

C9H10F3NO3S — CID 103473425

IUPAC4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(COCC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C9H10F3NO3S/c1-2-5-7(8(14)15)17-6(13-5)3-16-4-9(10,11)12/h2-4H2,1H3,(H,14,15)
InChIKeyFFKGIAUVKCNVRD-UHFFFAOYSA-N
MW269.24 g/mol
LogP2.48
Rot. Bonds5

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

4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 103473425) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID103473425
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(COCC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C9H10F3NO3S/c1-2-5-7(8(14)15)17-6(13-5)3-16-4-9(10,11)12/h2-4H2,1H3,(H,14,15)
InChIKeyFFKGIAUVKCNVRD-UHFFFAOYSA-N
XLogP2.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 103473425) is 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid is CCc1nc(COCC(F)(F)F)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is FFKGIAUVKCNVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-2-5-7(8(14)15)17-6(13-5)3-16-4-9(10,11)12/h2-4H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 269.24 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 103473425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).