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

C8H6ClN3O2S — CID 18796944

IUPACmethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2ncc(Cl)nc2c1N
InChIInChI=1S/C8H6ClN3O2S/c1-14-8(13)6-4(10)5-7(15-6)11-2-3(9)12-5/h2H,10H2,1H3
InChIKeyRNZNJYAVQYLTIY-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.71
Rot. Bonds1

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

methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 18796944) has the molecular formula C8H6ClN3O2S and a molecular weight of 243.67 g/mol. Its IUPAC name is methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate
PubChem CID18796944
Molecular FormulaC8H6ClN3O2S
Molecular Weight243.67 g/mol
Exact Mass242.99
IUPAC Namemethyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2ncc(Cl)nc2c1N
InChIInChI=1S/C8H6ClN3O2S/c1-14-8(13)6-4(10)5-7(15-6)11-2-3(9)12-5/h2H,10H2,1H3
InChIKeyRNZNJYAVQYLTIY-UHFFFAOYSA-N
XLogP1.71
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate (CID 18796944) is methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate is COC(=O)c1sc2ncc(Cl)nc2c1N.
What is the InChIKey of methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is RNZNJYAVQYLTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2S/c1-14-8(13)6-4(10)5-7(15-6)11-2-3(9)12-5/h2H,10H2,1H3.
What are the key properties of methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate?
methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 243.67 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 18796944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).