[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C10H11F3N2O4S — CID 18775039

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c1-6-4-20-9(18)15(6)2-8(17)19-3-7(16)14-5-10(11,12)13/h4H,2-3,5H2,1H3,(H,14,16)
InChIKeyZZOAMWOGGMCNQV-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.44
Rot. Bonds5

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 18775039) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID18775039
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c1-6-4-20-9(18)15(6)2-8(17)19-3-7(16)14-5-10(11,12)13/h4H,2-3,5H2,1H3,(H,14,16)
InChIKeyZZOAMWOGGMCNQV-UHFFFAOYSA-N
XLogP0.44
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 18775039) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is ZZOAMWOGGMCNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c1-6-4-20-9(18)15(6)2-8(17)19-3-7(16)14-5-10(11,12)13/h4H,2-3,5H2,1H3,(H,14,16).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 312.27 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 18775039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).