6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine

C11H15NS — CID 155118555

IUPAC6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine
SMILESCC(C)(C)C1CC=c2ccsc2=N1
InChIInChI=1S/C11H15NS/c1-11(2,3)9-5-4-8-6-7-13-10(8)12-9/h4,6-7,9H,5H2,1-3H3
InChIKeyUNOLJUNPXUNYAR-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.97
Rot. Bonds

About 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine

6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine (PubChem CID 155118555) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine
PubChem CID155118555
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine
SMILESCC(C)(C)C1CC=c2ccsc2=N1
InChIInChI=1S/C11H15NS/c1-11(2,3)9-5-4-8-6-7-13-10(8)12-9/h4,6-7,9H,5H2,1-3H3
InChIKeyUNOLJUNPXUNYAR-UHFFFAOYSA-N
XLogP1.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine?
The IUPAC name of 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine (CID 155118555) is 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine is CC(C)(C)C1CC=c2ccsc2=N1.
What is the InChIKey of 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine?
The InChIKey is UNOLJUNPXUNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-11(2,3)9-5-4-8-6-7-13-10(8)12-9/h4,6-7,9H,5H2,1-3H3.
What are the key properties of 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine?
6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine has a molecular weight of 193.31 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,6-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 155118555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).