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

C10H13F3N2O3S — CID 78846841

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-7-5-19-9(17)15(7)4-8(16)14-2-3-18-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,16)
InChIKeyGHPFHVZBQPGAGK-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.91
Rot. Bonds6

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

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 78846841) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID78846841
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-7-5-19-9(17)15(7)4-8(16)14-2-3-18-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,16)
InChIKeyGHPFHVZBQPGAGK-UHFFFAOYSA-N
XLogP0.91
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 78846841) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is Cc1csc(=O)n1CC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is GHPFHVZBQPGAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-7-5-19-9(17)15(7)4-8(16)14-2-3-18-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,16).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 298.29 g/mol, XLogP of 0.91, 6 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-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 78846841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).