[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate

C10H11F3N2O3S — CID 61492308

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCC(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C10H11F3N2O3S/c1-5-6(14)2-7(19-5)9(17)18-3-8(16)15-4-10(11,12)13/h2H,3-4,14H2,1H3,(H,15,16)
InChIKeyZYJSBFFRNTUSIS-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.47
Rot. Bonds4

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 61492308) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate
PubChem CID61492308
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCC(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C10H11F3N2O3S/c1-5-6(14)2-7(19-5)9(17)18-3-8(16)15-4-10(11,12)13/h2H,3-4,14H2,1H3,(H,15,16)
InChIKeyZYJSBFFRNTUSIS-UHFFFAOYSA-N
XLogP1.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
3,3-dimethylbutyl 4-amino-5-methylthiophene-2-carboxylate
CID 61481561
2-(trifluoromethylsulfanyl)ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 116617274
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 7618941
cyanomethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316963
2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316008
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-amino-5-bromobenzoate
CID 7149189
4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61101958
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-amino-4-chlorobenzoate
CID 2571549
2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55159605
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 55449303
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate
CID 2624735

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate (CID 61492308) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OCC(=O)NCC(F)(F)F)cc1N.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is ZYJSBFFRNTUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-5-6(14)2-7(19-5)9(17)18-3-8(16)15-4-10(11,12)13/h2H,3-4,14H2,1H3,(H,15,16).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 296.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 61492308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).