methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate

C9H8N2O2S — CID 84675996

IUPACmethyl 7-aminothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2ccnc(N)c2s1
InChIInChI=1S/C9H8N2O2S/c1-13-9(12)6-4-5-2-3-11-8(10)7(5)14-6/h2-4H,1H3,(H2,10,11)
InChIKeyXBOLALVJTBNNHX-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.67
Rot. Bonds1

About methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate

methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate (PubChem CID 84675996) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-aminothieno[2,3-c]pyridine-2-carboxylate
PubChem CID84675996
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Namemethyl 7-aminothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2ccnc(N)c2s1
InChIInChI=1S/C9H8N2O2S/c1-13-9(12)6-4-5-2-3-11-8(10)7(5)14-6/h2-4H,1H3,(H2,10,11)
InChIKeyXBOLALVJTBNNHX-UHFFFAOYSA-N
XLogP1.67
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 7-aminothieno[2,3-c]pyridine-2-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-aminothieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate (CID 84675996) is methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2ccnc(N)c2s1.
What is the InChIKey of methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is XBOLALVJTBNNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-13-9(12)6-4-5-2-3-11-8(10)7(5)14-6/h2-4H,1H3,(H2,10,11).
What are the key properties of methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate?
methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 208.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 84675996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).