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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Related Compounds

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 676133
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
3-amino-4-[(3S)-3-(2-ethoxyethoxymethyl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 162641696
Ethyl 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxylate
CID 2831728
3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
3-Amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 704064
Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 2764765
Propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
CID 888534
Methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 2838748
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
ethyl 3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate
CID 712868

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).