1,5,7,7a-tetrahydrothieno[3,4-b]pyridine

C7H9NS — CID 177054220

IUPAC1,5,7,7a-tetrahydrothieno[3,4-b]pyridine
SMILESC1=CNC2CSCC2=C1
InChIInChI=1S/C7H9NS/c1-2-6-4-9-5-7(6)8-3-1/h1-3,7-8H,4-5H2
InChIKeyXDXLARDYZOYNLM-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.15
Rot. Bonds

About 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine

1,5,7,7a-tetrahydrothieno[3,4-b]pyridine (PubChem CID 177054220) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine.

Molecular Properties

Compound Name1,5,7,7a-tetrahydrothieno[3,4-b]pyridine
PubChem CID177054220
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name1,5,7,7a-tetrahydrothieno[3,4-b]pyridine
SMILESC1=CNC2CSCC2=C1
InChIInChI=1S/C7H9NS/c1-2-6-4-9-5-7(6)8-3-1/h1-3,7-8H,4-5H2
InChIKeyXDXLARDYZOYNLM-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrothienopyridine
CID 66621461
1,3,4,5-Tetrahydrothieno[3,4-c]pyridine
CID 17801431
5a,6-dihydro-5H-thieno[2,3-e]indole
CID 17947055
5,6-Dihydrothieno[3,2-c]pyridine
CID 21958065
2-(Methylsulfanylmethyl)-1,2-dihydropyridine
CID 22156945
Acetonitrile;2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
CID 67100340
2-Methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
CID 67100810
Tetrahydrothienopyridine hydrochloride
CID 68420022
2,3,3a,4-Tetrahydrothieno[3,2-b]pyridine 1-oxide
CID 69827375
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine
CID 69961869
2,3,3a,4-Tetrahydrothieno[3,2-b]pyridine;azane
CID 87244198
2,6-Dimethyl-2,3,3a,7a-tetrahydro-1,3-benzothiazole
CID 89495236

Frequently Asked Questions

What is the IUPAC name of 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine?
The IUPAC name of 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine (CID 177054220) is 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine.
What is the SMILES notation for 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine?
The canonical SMILES for 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine is C1=CNC2CSCC2=C1.
What is the InChIKey of 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine?
The InChIKey is XDXLARDYZOYNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-6-4-9-5-7(6)8-3-1/h1-3,7-8H,4-5H2.
What are the key properties of 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine?
1,5,7,7a-tetrahydrothieno[3,4-b]pyridine has a molecular weight of 139.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7,7a-tetrahydrothieno[3,4-b]pyridine is sourced from PubChem (CID 177054220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).