ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate

C9H9N3O2S — CID 2820821

IUPACethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C9H9N3O2S/c1-2-14-9(13)7-5(10)6-8(15-7)12-4-3-11-6/h3-4H,2,10H2,1H3
InChIKeyJLBXHMLWNKGFAV-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.45
Rot. Bonds2

About ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate

ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 2820821) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
PubChem CID2820821
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Nameethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C9H9N3O2S/c1-2-14-9(13)7-5(10)6-8(15-7)12-4-3-11-6/h3-4H,2,10H2,1H3
InChIKeyJLBXHMLWNKGFAV-UHFFFAOYSA-N
XLogP1.45
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate (CID 2820821) is ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate is CCOC(=O)c1sc2nccnc2c1N.
What is the InChIKey of ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is JLBXHMLWNKGFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-2-14-9(13)7-5(10)6-8(15-7)12-4-3-11-6/h3-4H,2,10H2,1H3.
What are the key properties of ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate?
ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 223.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 2820821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).