N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H10F3N3O2S — CID 79260666

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(=O)c1csc(NC(=O)CNCC(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2S/c1-5(16)6-3-18-8(14-6)15-7(17)2-13-4-9(10,11)12/h3,13H,2,4H2,1H3,(H,14,15,17)
InChIKeyCQASEKRWKYUNPW-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.44
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260666) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260666
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(=O)c1csc(NC(=O)CNCC(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2S/c1-5(16)6-3-18-8(14-6)15-7(17)2-13-4-9(10,11)12/h3,13H,2,4H2,1H3,(H,14,15,17)
InChIKeyCQASEKRWKYUNPW-UHFFFAOYSA-N
XLogP1.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260666) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(=O)c1csc(NC(=O)CNCC(F)(F)F)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is CQASEKRWKYUNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c1-5(16)6-3-18-8(14-6)15-7(17)2-13-4-9(10,11)12/h3,13H,2,4H2,1H3,(H,14,15,17).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 281.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).