3a,4-dihydrothieno[3,2-c]pyridine

C7H7NS — CID 22446581

IUPAC3a,4-dihydrothieno[3,2-c]pyridine
SMILESC1=CC2CN=CC=C2S1
InChIInChI=1S/C7H7NS/c1-3-8-5-6-2-4-9-7(1)6/h1-4,6H,5H2
InChIKeySWLZFSSAMOVPPF-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.83
Rot. Bonds

About 3a,4-dihydrothieno[3,2-c]pyridine

3a,4-dihydrothieno[3,2-c]pyridine (PubChem CID 22446581) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 3a,4-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name3a,4-dihydrothieno[3,2-c]pyridine
PubChem CID22446581
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name3a,4-dihydrothieno[3,2-c]pyridine
SMILESC1=CC2CN=CC=C2S1
InChIInChI=1S/C7H7NS/c1-3-8-5-6-2-4-9-7(1)6/h1-4,6H,5H2
InChIKeySWLZFSSAMOVPPF-UHFFFAOYSA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3a,4-dihydrothieno[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 3a,4-dihydrothieno[3,2-c]pyridine (CID 22446581) is 3a,4-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 3a,4-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 3a,4-dihydrothieno[3,2-c]pyridine is C1=CC2CN=CC=C2S1.
What is the InChIKey of 3a,4-dihydrothieno[3,2-c]pyridine?
The InChIKey is SWLZFSSAMOVPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-3-8-5-6-2-4-9-7(1)6/h1-4,6H,5H2.
What are the key properties of 3a,4-dihydrothieno[3,2-c]pyridine?
3a,4-dihydrothieno[3,2-c]pyridine has a molecular weight of 137.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 22446581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).