(2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate

C11H8N2O3S — CID 7985805

IUPAC(2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1cccs1)c1cnccn1
InChIInChI=1S/C11H8N2O3S/c14-9(10-2-1-5-17-10)7-16-11(15)8-6-12-3-4-13-8/h1-6H,7H2
InChIKeySEDQQCMFYVPICC-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.58
Rot. Bonds4

About (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate

(2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate (PubChem CID 7985805) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate
PubChem CID7985805
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1cccs1)c1cnccn1
InChIInChI=1S/C11H8N2O3S/c14-9(10-2-1-5-17-10)7-16-11(15)8-6-12-3-4-13-8/h1-6H,7H2
InChIKeySEDQQCMFYVPICC-UHFFFAOYSA-N
XLogP1.58
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate (CID 7985805) is (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate is O=C(OCC(=O)c1cccs1)c1cnccn1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate?
The InChIKey is SEDQQCMFYVPICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c14-9(10-2-1-5-17-10)7-16-11(15)8-6-12-3-4-13-8/h1-6H,7H2.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate?
(2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate has a molecular weight of 248.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate is sourced from PubChem (CID 7985805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).