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

C7H7F3N2O2S — CID 115646848

IUPAC2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccsc1=O)NCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)4-11-5(13)3-12-1-2-15-6(12)14/h1-2H,3-4H2,(H,11,13)
InChIKeyQJSORZJBAOYDDF-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.59
Rot. Bonds3

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

2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115646848) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115646848
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccsc1=O)NCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)4-11-5(13)3-12-1-2-15-6(12)14/h1-2H,3-4H2,(H,11,13)
InChIKeyQJSORZJBAOYDDF-UHFFFAOYSA-N
XLogP0.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 115646848) is 2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ccsc1=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QJSORZJBAOYDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)4-11-5(13)3-12-1-2-15-6(12)14/h1-2H,3-4H2,(H,11,13).
What are the key properties of 2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 240.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115646848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).