7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate

C11H7F3N3O3S- — CID 86680171

IUPAC7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate
SMILESCCN(C(=O)C(F)(F)F)c1c(C(=O)[O-])sc2nccnc12
InChIInChI=1S/C11H8F3N3O3S/c1-2-17(10(20)11(12,13)14)6-5-8(16-4-3-15-5)21-7(6)9(18)19/h3-4H,2H2,1H3,(H,18,19)/p-1
InChIKeyZCOLANQSJBECOZ-UHFFFAOYSA-M
MW318.26 g/mol
LogP0.97
Rot. Bonds3

About 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate

7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 86680171) has the molecular formula C11H7F3N3O3S- and a molecular weight of 318.26 g/mol. Its IUPAC name is 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Name7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate
PubChem CID86680171
Molecular FormulaC11H7F3N3O3S-
Molecular Weight318.26 g/mol
Exact Mass318.02
IUPAC Name7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate
SMILESCCN(C(=O)C(F)(F)F)c1c(C(=O)[O-])sc2nccnc12
InChIInChI=1S/C11H8F3N3O3S/c1-2-17(10(20)11(12,13)14)6-5-8(16-4-3-15-5)21-7(6)9(18)19/h3-4H,2H2,1H3,(H,18,19)/p-1
InChIKeyZCOLANQSJBECOZ-UHFFFAOYSA-M
XLogP0.97
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate with MolForge

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Related Compounds

Thieno[2,3-b]pyrazine-6-carboxylic acid
CID 7164578
7-Aminothieno[2,3-b]pyrazine-6-carboxylic acid
CID 12225712
Methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
CID 2759783
Ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
CID 2820821
Methyl 7-bromothieno(2,3-b)pyrazine-6-carboxylate
CID 130058401
Ethyl 7-(2,2,2-trifluoroacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680160
ethyl 7-(2,2,2-trifluoro-N-methylacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680161
7-(2,2,2-trifluoro-N-methylacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680162
7-(2,2,2-trifluoro-N-methylacetamido)thieno[2,3-b]pyrazine-6-carboxylic acid
CID 86680163
7-[Ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid
CID 86680172
Ethyl 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate
CID 87279099
Fluoro 7-aminothieno[2,3-b]pyrazine-6-carboxylate
CID 141902957

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate (CID 86680171) is 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate is CCN(C(=O)C(F)(F)F)c1c(C(=O)[O-])sc2nccnc12.
What is the InChIKey of 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is ZCOLANQSJBECOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8F3N3O3S/c1-2-17(10(20)11(12,13)14)6-5-8(16-4-3-15-5)21-7(6)9(18)19/h3-4H,2H2,1H3,(H,18,19)/p-1.
What are the key properties of 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate?
7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 318.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 86680171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).