ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C12H18N2O2S — CID 2323085

IUPACethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)sc2c1CCN(CC)C2
InChIInChI=1S/C12H18N2O2S/c1-3-14-6-5-8-9(7-14)17-11(13)10(8)12(15)16-4-2/h3-7,13H2,1-2H3
InChIKeyHLWOSVMLHPRGML-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.88
Rot. Bonds3

About ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 2323085) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID2323085
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)sc2c1CCN(CC)C2
InChIInChI=1S/C12H18N2O2S/c1-3-14-6-5-8-9(7-14)17-11(13)10(8)12(15)16-4-2/h3-7,13H2,1-2H3
InChIKeyHLWOSVMLHPRGML-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

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CID 691671
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CID 2794740
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CID 212358
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CID 78536
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CID 207319
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CID 829075
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CID 2810964
CID 2810964

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 2323085) is ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(N)sc2c1CCN(CC)C2.
What is the InChIKey of ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is HLWOSVMLHPRGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-14-6-5-8-9(7-14)17-11(13)10(8)12(15)16-4-2/h3-7,13H2,1-2H3.
What are the key properties of ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 2323085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).