2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide

C9H10F3N3O2S — CID 22916734

IUPAC2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
SMILESCN(CC(=O)NCc1nccs1)C(=O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O2S/c1-15(8(17)9(10,11)12)5-6(16)14-4-7-13-2-3-18-7/h2-3H,4-5H2,1H3,(H,14,16)
InChIKeyGGINEOFELAZMLJ-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.78
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide (PubChem CID 22916734) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
PubChem CID22916734
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
SMILESCN(CC(=O)NCc1nccs1)C(=O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O2S/c1-15(8(17)9(10,11)12)5-6(16)14-4-7-13-2-3-18-7/h2-3H,4-5H2,1H3,(H,14,16)
InChIKeyGGINEOFELAZMLJ-UHFFFAOYSA-N
XLogP0.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]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 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide (CID 22916734) is 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide is CN(CC(=O)NCc1nccs1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
The InChIKey is GGINEOFELAZMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c1-15(8(17)9(10,11)12)5-6(16)14-4-7-13-2-3-18-7/h2-3H,4-5H2,1H3,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide has a molecular weight of 281.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 22916734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).