ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate

C10H10N2O2S — CID 738459

IUPACethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C10H10N2O2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2,11H2,1H3
InChIKeyHNLWHNQYBCCNLL-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.06
Rot. Bonds2

About ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate

ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate (PubChem CID 738459) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
PubChem CID738459
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Nameethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C10H10N2O2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2,11H2,1H3
InChIKeyHNLWHNQYBCCNLL-UHFFFAOYSA-N
XLogP2.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate (CID 738459) is ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2ncccc2c1N.
What is the InChIKey of ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is HNLWHNQYBCCNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2,11H2,1H3.
What are the key properties of ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 222.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).