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

C9H8ClN3O2S — CID 10539100

IUPACethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1sc2ncc(Cl)nc2c1N
InChIInChI=1S/C9H8ClN3O2S/c1-2-15-9(14)7-5(11)6-8(16-7)12-3-4(10)13-6/h3H,2,11H2,1H3
InChIKeyGOVBQTQQLRNYKG-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.10
Rot. Bonds2

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

ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 10539100) has the molecular formula C9H8ClN3O2S and a molecular weight of 257.70 g/mol. Its IUPAC name is ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate
PubChem CID10539100
Molecular FormulaC9H8ClN3O2S
Molecular Weight257.70 g/mol
Exact Mass257.00
IUPAC Nameethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1sc2ncc(Cl)nc2c1N
InChIInChI=1S/C9H8ClN3O2S/c1-2-15-9(14)7-5(11)6-8(16-7)12-3-4(10)13-6/h3H,2,11H2,1H3
InChIKeyGOVBQTQQLRNYKG-UHFFFAOYSA-N
XLogP2.10
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate (CID 10539100) is ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate is CCOC(=O)c1sc2ncc(Cl)nc2c1N.
What is the InChIKey of ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is GOVBQTQQLRNYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S/c1-2-15-9(14)7-5(11)6-8(16-7)12-3-4(10)13-6/h3H,2,11H2,1H3.
What are the key properties of ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate?
ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 257.70 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 10539100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).