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

C8H9F3N2O3S — CID 81340634

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1csc(=O)n1CC(=O)NOCC(F)(F)F
InChIInChI=1S/C8H9F3N2O3S/c1-5-3-17-7(15)13(5)2-6(14)12-16-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,14)
InChIKeyNZILOWDWMYBGHA-UHFFFAOYSA-N
MW270.23 g/mol
LogP0.83
Rot. Bonds4

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

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81340634) has the molecular formula C8H9F3N2O3S and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81340634
Molecular FormulaC8H9F3N2O3S
Molecular Weight270.23 g/mol
Exact Mass270.03
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1csc(=O)n1CC(=O)NOCC(F)(F)F
InChIInChI=1S/C8H9F3N2O3S/c1-5-3-17-7(15)13(5)2-6(14)12-16-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,14)
InChIKeyNZILOWDWMYBGHA-UHFFFAOYSA-N
XLogP0.83
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81340634) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide is Cc1csc(=O)n1CC(=O)NOCC(F)(F)F.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NZILOWDWMYBGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S/c1-5-3-17-7(15)13(5)2-6(14)12-16-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,14).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 270.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81340634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).