5-phenylthieno[3,2-b]pyridine

C13H9NS — CID 24747710

IUPAC5-phenylthieno[3,2-b]pyridine
SMILESc1ccc(-c2ccc3sccc3n2)cc1
InChIInChI=1S/C13H9NS/c1-2-4-10(5-3-1)11-6-7-13-12(14-11)8-9-15-13/h1-9H
InChIKeyMQBBJLZSNDAWTN-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.96
Rot. Bonds1

About 5-phenylthieno[3,2-b]pyridine

5-phenylthieno[3,2-b]pyridine (PubChem CID 24747710) has the molecular formula C13H9NS and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-phenylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-phenylthieno[3,2-b]pyridine
PubChem CID24747710
Molecular FormulaC13H9NS
Molecular Weight211.29 g/mol
Exact Mass211.05
IUPAC Name5-phenylthieno[3,2-b]pyridine
SMILESc1ccc(-c2ccc3sccc3n2)cc1
InChIInChI=1S/C13H9NS/c1-2-4-10(5-3-1)11-6-7-13-12(14-11)8-9-15-13/h1-9H
InChIKeyMQBBJLZSNDAWTN-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenylthieno[3,2-b]pyridine?
The IUPAC name of 5-phenylthieno[3,2-b]pyridine (CID 24747710) is 5-phenylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-phenylthieno[3,2-b]pyridine?
The canonical SMILES for 5-phenylthieno[3,2-b]pyridine is c1ccc(-c2ccc3sccc3n2)cc1.
What is the InChIKey of 5-phenylthieno[3,2-b]pyridine?
The InChIKey is MQBBJLZSNDAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS/c1-2-4-10(5-3-1)11-6-7-13-12(14-11)8-9-15-13/h1-9H.
What are the key properties of 5-phenylthieno[3,2-b]pyridine?
5-phenylthieno[3,2-b]pyridine has a molecular weight of 211.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylthieno[3,2-b]pyridine is sourced from PubChem (CID 24747710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).