(2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate

C11H9N3O3S — CID 2566154

IUPAC(2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC(=O)c1cccs1
InChIInChI=1S/C11H9N3O3S/c12-10-9(13-3-4-14-10)11(16)17-6-7(15)8-2-1-5-18-8/h1-5H,6H2,(H2,12,14)
InChIKeyRRRFYIJMJCMXFE-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.16
Rot. Bonds4

About (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate

(2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate (PubChem CID 2566154) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate
PubChem CID2566154
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC(=O)c1cccs1
InChIInChI=1S/C11H9N3O3S/c12-10-9(13-3-4-14-10)11(16)17-6-7(15)8-2-1-5-18-8/h1-5H,6H2,(H2,12,14)
InChIKeyRRRFYIJMJCMXFE-UHFFFAOYSA-N
XLogP1.16
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate (CID 2566154) is (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCC(=O)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate?
The InChIKey is RRRFYIJMJCMXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c12-10-9(13-3-4-14-10)11(16)17-6-7(15)8-2-1-5-18-8/h1-5H,6H2,(H2,12,14).
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate?
(2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate has a molecular weight of 263.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 2566154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).