2-ethylthieno[3,2-c]pyridine

C9H9NS — CID 70413721

IUPAC2-ethylthieno[3,2-c]pyridine
SMILESCCc1cc2cnccc2s1
InChIInChI=1S/C9H9NS/c1-2-8-5-7-6-10-4-3-9(7)11-8/h3-6H,2H2,1H3
InChIKeyUWRCQDVBGUBBCZ-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.86
Rot. Bonds1

About 2-ethylthieno[3,2-c]pyridine

2-ethylthieno[3,2-c]pyridine (PubChem CID 70413721) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 2-ethylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-ethylthieno[3,2-c]pyridine
PubChem CID70413721
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name2-ethylthieno[3,2-c]pyridine
SMILESCCc1cc2cnccc2s1
InChIInChI=1S/C9H9NS/c1-2-8-5-7-6-10-4-3-9(7)11-8/h3-6H,2H2,1H3
InChIKeyUWRCQDVBGUBBCZ-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylthieno[3,2-c]pyridine?
The IUPAC name of 2-ethylthieno[3,2-c]pyridine (CID 70413721) is 2-ethylthieno[3,2-c]pyridine.
What is the SMILES notation for 2-ethylthieno[3,2-c]pyridine?
The canonical SMILES for 2-ethylthieno[3,2-c]pyridine is CCc1cc2cnccc2s1.
What is the InChIKey of 2-ethylthieno[3,2-c]pyridine?
The InChIKey is UWRCQDVBGUBBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-2-8-5-7-6-10-4-3-9(7)11-8/h3-6H,2H2,1H3.
What are the key properties of 2-ethylthieno[3,2-c]pyridine?
2-ethylthieno[3,2-c]pyridine has a molecular weight of 163.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthieno[3,2-c]pyridine is sourced from PubChem (CID 70413721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).