2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane

C7H12N2S — CID 87244198

IUPAC2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane
SMILESC1=CNC2CCSC2=C1.N
InChIInChI=1S/C7H9NS.H3N/c1-2-7-6(8-4-1)3-5-9-7;/h1-2,4,6,8H,3,5H2;1H3
InChIKeyVTZNDVFIYGXDMZ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.65
Rot. Bonds

About 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane

2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane (PubChem CID 87244198) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane.

Molecular Properties

Compound Name2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane
PubChem CID87244198
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane
SMILESC1=CNC2CCSC2=C1.N
InChIInChI=1S/C7H9NS.H3N/c1-2-7-6(8-4-1)3-5-9-7;/h1-2,4,6,8H,3,5H2;1H3
InChIKeyVTZNDVFIYGXDMZ-UHFFFAOYSA-N
XLogP1.65
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane 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 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane?
The IUPAC name of 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane (CID 87244198) is 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane.
What is the SMILES notation for 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane?
The canonical SMILES for 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane is C1=CNC2CCSC2=C1.N.
What is the InChIKey of 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane?
The InChIKey is VTZNDVFIYGXDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.H3N/c1-2-7-6(8-4-1)3-5-9-7;/h1-2,4,6,8H,3,5H2;1H3.
What are the key properties of 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane?
2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane has a molecular weight of 156.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydrothieno[3,2-b]pyridine;azane is sourced from PubChem (CID 87244198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).