[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C14H14N2O3S — CID 7604269

IUPAC[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2cc(C)sc2C)cn1
InChIInChI=1S/C14H14N2O3S/c1-8-5-16-12(6-15-8)14(18)19-7-13(17)11-4-9(2)20-10(11)3/h4-6H,7H2,1-3H3
InChIKeyIGQYQPBTDYUXDT-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.50
Rot. Bonds4

About [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 7604269) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID7604269
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2cc(C)sc2C)cn1
InChIInChI=1S/C14H14N2O3S/c1-8-5-16-12(6-15-8)14(18)19-7-13(17)11-4-9(2)20-10(11)3/h4-6H,7H2,1-3H3
InChIKeyIGQYQPBTDYUXDT-UHFFFAOYSA-N
XLogP2.50
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 7604269) is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2cc(C)sc2C)cn1.
What is the InChIKey of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is IGQYQPBTDYUXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-5-16-12(6-15-8)14(18)19-7-13(17)11-4-9(2)20-10(11)3/h4-6H,7H2,1-3H3.
What are the key properties of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7604269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).