ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate

C10H13NO2S — CID 157046318

IUPACethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1NCCc2ccsc21
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-9-7(3-5-11-8)4-6-14-9/h4,6,8,11H,2-3,5H2,1H3
InChIKeyXXWGGDPRONNRSP-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.50
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate

ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate (PubChem CID 157046318) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
PubChem CID157046318
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1NCCc2ccsc21
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-9-7(3-5-11-8)4-6-14-9/h4,6,8,11H,2-3,5H2,1H3
InChIKeyXXWGGDPRONNRSP-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate (CID 157046318) is ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate is CCOC(=O)C1NCCc2ccsc21.
What is the InChIKey of ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate?
The InChIKey is XXWGGDPRONNRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-13-10(12)8-9-7(3-5-11-8)4-6-14-9/h4,6,8,11H,2-3,5H2,1H3.
What are the key properties of ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate?
ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 157046318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).