2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine

C9H11NS — CID 58047092

IUPAC2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine
SMILESCc1cnc2c(c1)SC(C)C2
InChIInChI=1S/C9H11NS/c1-6-3-9-8(10-5-6)4-7(2)11-9/h3,5,7H,4H2,1-2H3
InChIKeyBZCBGHUNZPILKO-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.43
Rot. Bonds

About 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine

2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine (PubChem CID 58047092) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine
PubChem CID58047092
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine
SMILESCc1cnc2c(c1)SC(C)C2
InChIInChI=1S/C9H11NS/c1-6-3-9-8(10-5-6)4-7(2)11-9/h3,5,7H,4H2,1-2H3
InChIKeyBZCBGHUNZPILKO-UHFFFAOYSA-N
XLogP2.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine?
The IUPAC name of 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine (CID 58047092) is 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine.
What is the SMILES notation for 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine?
The canonical SMILES for 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine is Cc1cnc2c(c1)SC(C)C2.
What is the InChIKey of 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine?
The InChIKey is BZCBGHUNZPILKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-6-3-9-8(10-5-6)4-7(2)11-9/h3,5,7H,4H2,1-2H3.
What are the key properties of 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine?
2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine has a molecular weight of 165.26 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3-dihydrothieno[3,2-b]pyridine is sourced from PubChem (CID 58047092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).