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

C8H9F3N2O2S — CID 60892155

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCN(Cc1csc(C(=O)O)n1)CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c1-13(4-8(9,10)11)2-5-3-16-6(12-5)7(14)15/h3H,2,4H2,1H3,(H,14,15)
InChIKeyVILGVNJZVWZZTR-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.84
Rot. Bonds4

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

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 60892155) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID60892155
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCN(Cc1csc(C(=O)O)n1)CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c1-13(4-8(9,10)11)2-5-3-16-6(12-5)7(14)15/h3H,2,4H2,1H3,(H,14,15)
InChIKeyVILGVNJZVWZZTR-UHFFFAOYSA-N
XLogP1.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid (CID 60892155) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid is CN(Cc1csc(C(=O)O)n1)CC(F)(F)F.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is VILGVNJZVWZZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-13(4-8(9,10)11)2-5-3-16-6(12-5)7(14)15/h3H,2,4H2,1H3,(H,14,15).
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 254.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 60892155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).