4,5,6,7-tetrahydrothieno[3,2-b]pyridine

C7H9NS — CID 20712121

IUPAC4,5,6,7-tetrahydrothieno[3,2-b]pyridine
SMILESc1cc2c(s1)CCCN2
InChIInChI=1S/C7H9NS/c1-2-7-6(8-4-1)3-5-9-7/h3,5,8H,1-2,4H2
InChIKeyMSDZLUHQKBFCHC-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.11
Rot. Bonds

About 4,5,6,7-tetrahydrothieno[3,2-b]pyridine

4,5,6,7-tetrahydrothieno[3,2-b]pyridine (PubChem CID 20712121) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[3,2-b]pyridine
PubChem CID20712121
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name4,5,6,7-tetrahydrothieno[3,2-b]pyridine
SMILESc1cc2c(s1)CCCN2
InChIInChI=1S/C7H9NS/c1-2-7-6(8-4-1)3-5-9-7/h3,5,8H,1-2,4H2
InChIKeyMSDZLUHQKBFCHC-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5,6,7-tetrahydrothieno[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 4,5,6,7-tetrahydrothieno[3,2-b]pyridine?
The IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-b]pyridine (CID 20712121) is 4,5,6,7-tetrahydrothieno[3,2-b]pyridine.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[3,2-b]pyridine?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[3,2-b]pyridine is c1cc2c(s1)CCCN2.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[3,2-b]pyridine?
The InChIKey is MSDZLUHQKBFCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-7-6(8-4-1)3-5-9-7/h3,5,8H,1-2,4H2.
What are the key properties of 4,5,6,7-tetrahydrothieno[3,2-b]pyridine?
4,5,6,7-tetrahydrothieno[3,2-b]pyridine has a molecular weight of 139.22 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrothieno[3,2-b]pyridine is sourced from PubChem (CID 20712121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).