2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H9F3N2OS — CID 78786025

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CC(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C8H9F3N2OS/c1-5-13-6(3-15-5)2-7(14)12-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,14)
InChIKeySTBSZLPNBZPZAU-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78786025) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78786025
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CC(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C8H9F3N2OS/c1-5-13-6(3-15-5)2-7(14)12-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,14)
InChIKeySTBSZLPNBZPZAU-UHFFFAOYSA-N
XLogP1.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide 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 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78786025) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(CC(=O)NCC(F)(F)F)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is STBSZLPNBZPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-5-13-6(3-15-5)2-7(14)12-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,14).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 238.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78786025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).