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

C8H7N3O2S — CID 2759783

IUPACmethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C8H7N3O2S/c1-13-8(12)6-4(9)5-7(14-6)11-3-2-10-5/h2-3H,9H2,1H3
InChIKeyPSFBMJMQOVCYFD-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.06
Rot. Bonds1

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

methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 2759783) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
PubChem CID2759783
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Namemethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C8H7N3O2S/c1-13-8(12)6-4(9)5-7(14-6)11-3-2-10-5/h2-3H,9H2,1H3
InChIKeyPSFBMJMQOVCYFD-UHFFFAOYSA-N
XLogP1.06
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate (CID 2759783) is methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate is COC(=O)c1sc2nccnc2c1N.
What is the InChIKey of methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is PSFBMJMQOVCYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-13-8(12)6-4(9)5-7(14-6)11-3-2-10-5/h2-3H,9H2,1H3.
What are the key properties of methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate?
methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 209.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 2759783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).