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

C8H7F3N2O3S — CID 63629825

IUPAC4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)C(F)(F)F)sc1C(=O)O
InChIInChI=1S/C8H7F3N2O3S/c1-3-5(6(14)15)17-4(13-3)2-12-7(16)8(9,10)11/h2H2,1H3,(H,12,16)(H,14,15)
InChIKeyWQQWCQLSVYCVFI-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.33
Rot. Bonds3

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

4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63629825) has the molecular formula C8H7F3N2O3S and a molecular weight of 268.22 g/mol. Its IUPAC name is 4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID63629825
Molecular FormulaC8H7F3N2O3S
Molecular Weight268.22 g/mol
Exact Mass268.01
IUPAC Name4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)C(F)(F)F)sc1C(=O)O
InChIInChI=1S/C8H7F3N2O3S/c1-3-5(6(14)15)17-4(13-3)2-12-7(16)8(9,10)11/h2H2,1H3,(H,12,16)(H,14,15)
InChIKeyWQQWCQLSVYCVFI-UHFFFAOYSA-N
XLogP1.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-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-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (CID 63629825) is 4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)C(F)(F)F)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is WQQWCQLSVYCVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3S/c1-3-5(6(14)15)17-4(13-3)2-12-7(16)8(9,10)11/h2H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63629825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).