4,5-dihydrothieno[3,2-b]pyridine

C7H7NS — CID 58996076

IUPAC4,5-dihydrothieno[3,2-b]pyridine
SMILESC1=Cc2sccc2NC1
InChIInChI=1S/C7H7NS/c1-2-7-6(8-4-1)3-5-9-7/h1-3,5,8H,4H2
InChIKeyGIVPATTUOXPMGZ-UHFFFAOYSA-N
MW137.21 g/mol
LogP2.19
Rot. Bonds

About 4,5-dihydrothieno[3,2-b]pyridine

4,5-dihydrothieno[3,2-b]pyridine (PubChem CID 58996076) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 4,5-dihydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name4,5-dihydrothieno[3,2-b]pyridine
PubChem CID58996076
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name4,5-dihydrothieno[3,2-b]pyridine
SMILESC1=Cc2sccc2NC1
InChIInChI=1S/C7H7NS/c1-2-7-6(8-4-1)3-5-9-7/h1-3,5,8H,4H2
InChIKeyGIVPATTUOXPMGZ-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dihydrothieno[3,2-b]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 4,5-dihydrothieno[3,2-b]pyridine?
The IUPAC name of 4,5-dihydrothieno[3,2-b]pyridine (CID 58996076) is 4,5-dihydrothieno[3,2-b]pyridine.
What is the SMILES notation for 4,5-dihydrothieno[3,2-b]pyridine?
The canonical SMILES for 4,5-dihydrothieno[3,2-b]pyridine is C1=Cc2sccc2NC1.
What is the InChIKey of 4,5-dihydrothieno[3,2-b]pyridine?
The InChIKey is GIVPATTUOXPMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-2-7-6(8-4-1)3-5-9-7/h1-3,5,8H,4H2.
What are the key properties of 4,5-dihydrothieno[3,2-b]pyridine?
4,5-dihydrothieno[3,2-b]pyridine has a molecular weight of 137.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrothieno[3,2-b]pyridine is sourced from PubChem (CID 58996076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).