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

C9H8N2O2S — CID 2764765

IUPACmethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C9H8N2O2S/c1-13-9(12)8-7(10)5-2-3-11-4-6(5)14-8/h2-4H,10H2,1H3
InChIKeyVAAFWMASRDVMQF-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.67
Rot. Bonds1

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

methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate (PubChem CID 2764765) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
PubChem CID2764765
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Namemethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C9H8N2O2S/c1-13-9(12)8-7(10)5-2-3-11-4-6(5)14-8/h2-4H,10H2,1H3
InChIKeyVAAFWMASRDVMQF-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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate (CID 2764765) is methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1sc2cnccc2c1N.
What is the InChIKey of methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is VAAFWMASRDVMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-13-9(12)8-7(10)5-2-3-11-4-6(5)14-8/h2-4H,10H2,1H3.
What are the key properties of methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate?
methyl 3-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 3-aminothieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 2764765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).