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

C9H11F3N2O2S — CID 55113135

IUPAC4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(C)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C9H11F3N2O2S/c1-3-5-6(7(15)16)17-8(13-5)14(2)4-9(10,11)12/h3-4H2,1-2H3,(H,15,16)
InChIKeyJZDWWUWJGGZNKC-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.40
Rot. Bonds4

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

4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 55113135) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID55113135
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(C)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C9H11F3N2O2S/c1-3-5-6(7(15)16)17-8(13-5)14(2)4-9(10,11)12/h3-4H2,1-2H3,(H,15,16)
InChIKeyJZDWWUWJGGZNKC-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 55113135) is 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is CCc1nc(N(C)CC(F)(F)F)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is JZDWWUWJGGZNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-3-5-6(7(15)16)17-8(13-5)14(2)4-9(10,11)12/h3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 55113135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).