5,5-dimethyl-4H-thieno[2,3-c]pyridine

C9H11NS — CID 10630879

IUPAC5,5-dimethyl-4H-thieno[2,3-c]pyridine
SMILESCC1(C)Cc2ccsc2C=N1
InChIInChI=1S/C9H11NS/c1-9(2)5-7-3-4-11-8(7)6-10-9/h3-4,6H,5H2,1-2H3
InChIKeyCJDXRYSYRBGJMS-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.50
Rot. Bonds

About 5,5-dimethyl-4H-thieno[2,3-c]pyridine

5,5-dimethyl-4H-thieno[2,3-c]pyridine (PubChem CID 10630879) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 5,5-dimethyl-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-4H-thieno[2,3-c]pyridine
PubChem CID10630879
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name5,5-dimethyl-4H-thieno[2,3-c]pyridine
SMILESCC1(C)Cc2ccsc2C=N1
InChIInChI=1S/C9H11NS/c1-9(2)5-7-3-4-11-8(7)6-10-9/h3-4,6H,5H2,1-2H3
InChIKeyCJDXRYSYRBGJMS-UHFFFAOYSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4H-thieno[2,3-c]pyridine?
The IUPAC name of 5,5-dimethyl-4H-thieno[2,3-c]pyridine (CID 10630879) is 5,5-dimethyl-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 5,5-dimethyl-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 5,5-dimethyl-4H-thieno[2,3-c]pyridine is CC1(C)Cc2ccsc2C=N1.
What is the InChIKey of 5,5-dimethyl-4H-thieno[2,3-c]pyridine?
The InChIKey is CJDXRYSYRBGJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-9(2)5-7-3-4-11-8(7)6-10-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 5,5-dimethyl-4H-thieno[2,3-c]pyridine?
5,5-dimethyl-4H-thieno[2,3-c]pyridine has a molecular weight of 165.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 10630879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).