5,7-dimethylthieno[3,2-b]pyridine

C9H9NS — CID 86180634

IUPAC5,7-dimethylthieno[3,2-b]pyridine
SMILESCc1cc(C)c2sccc2n1
InChIInChI=1S/C9H9NS/c1-6-5-7(2)10-8-3-4-11-9(6)8/h3-5H,1-2H3
InChIKeyFXULSZLDVHGXFX-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.91
Rot. Bonds

About 5,7-dimethylthieno[3,2-b]pyridine

5,7-dimethylthieno[3,2-b]pyridine (PubChem CID 86180634) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 5,7-dimethylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5,7-dimethylthieno[3,2-b]pyridine
PubChem CID86180634
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name5,7-dimethylthieno[3,2-b]pyridine
SMILESCc1cc(C)c2sccc2n1
InChIInChI=1S/C9H9NS/c1-6-5-7(2)10-8-3-4-11-9(6)8/h3-5H,1-2H3
InChIKeyFXULSZLDVHGXFX-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylthieno[3,2-b]pyridine?
The IUPAC name of 5,7-dimethylthieno[3,2-b]pyridine (CID 86180634) is 5,7-dimethylthieno[3,2-b]pyridine.
What is the SMILES notation for 5,7-dimethylthieno[3,2-b]pyridine?
The canonical SMILES for 5,7-dimethylthieno[3,2-b]pyridine is Cc1cc(C)c2sccc2n1.
What is the InChIKey of 5,7-dimethylthieno[3,2-b]pyridine?
The InChIKey is FXULSZLDVHGXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-6-5-7(2)10-8-3-4-11-9(6)8/h3-5H,1-2H3.
What are the key properties of 5,7-dimethylthieno[3,2-b]pyridine?
5,7-dimethylthieno[3,2-b]pyridine has a molecular weight of 163.24 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylthieno[3,2-b]pyridine is sourced from PubChem (CID 86180634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).