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

C10H13NO2S — CID 58157529

IUPACethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(s1)CNCC2
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-5-7-3-4-11-6-9(7)14-8/h5,11H,2-4,6H2,1H3
InChIKeyKEZGGJBGQAHGRQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.57
Rot. Bonds2

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

ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate (PubChem CID 58157529) 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-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
PubChem CID58157529
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(s1)CNCC2
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-5-7-3-4-11-6-9(7)14-8/h5,11H,2-4,6H2,1H3
InChIKeyKEZGGJBGQAHGRQ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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-2-carboxylate?
The IUPAC name of ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate (CID 58157529) is ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1cc2c(s1)CNCC2.
What is the InChIKey of ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is KEZGGJBGQAHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-13-10(12)8-5-7-3-4-11-6-9(7)14-8/h5,11H,2-4,6H2,1H3.
What are the key properties of ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate?
ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 1.57, 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-2-carboxylate is sourced from PubChem (CID 58157529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).