(2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate

C12H10N2O3S — CID 7950219

IUPAC(2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2cccs2)cn1
InChIInChI=1S/C12H10N2O3S/c1-8-5-14-9(6-13-8)12(16)17-7-10(15)11-3-2-4-18-11/h2-6H,7H2,1H3
InChIKeyZRMLRKCADVVBOM-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.89
Rot. Bonds4

About (2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate

(2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate (PubChem CID 7950219) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate
PubChem CID7950219
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2cccs2)cn1
InChIInChI=1S/C12H10N2O3S/c1-8-5-14-9(6-13-8)12(16)17-7-10(15)11-3-2-4-18-11/h2-6H,7H2,1H3
InChIKeyZRMLRKCADVVBOM-UHFFFAOYSA-N
XLogP1.89
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.89
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) 5-methylpyrazine-2-carboxylate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate (CID 7950219) is (2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2cccs2)cn1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate?
The InChIKey is ZRMLRKCADVVBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-8-5-14-9(6-13-8)12(16)17-7-10(15)11-3-2-4-18-11/h2-6H,7H2,1H3.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate?
(2-oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate has a molecular weight of 262.29 g/mol, XLogP of 1.89, 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) 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7950219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).