2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine

C9H11NS — CID 90364026

IUPAC2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine
SMILESCc1cc2c(s1)N=CC(C)C2
InChIInChI=1S/C9H11NS/c1-6-3-8-4-7(2)11-9(8)10-5-6/h4-6H,3H2,1-2H3
InChIKeyMXDOFEJLCHABGN-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.95
Rot. Bonds

About 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine

2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine (PubChem CID 90364026) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine
PubChem CID90364026
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine
SMILESCc1cc2c(s1)N=CC(C)C2
InChIInChI=1S/C9H11NS/c1-6-3-8-4-7(2)11-9(8)10-5-6/h4-6H,3H2,1-2H3
InChIKeyMXDOFEJLCHABGN-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine?
The IUPAC name of 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine (CID 90364026) is 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine is Cc1cc2c(s1)N=CC(C)C2.
What is the InChIKey of 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine?
The InChIKey is MXDOFEJLCHABGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-6-3-8-4-7(2)11-9(8)10-5-6/h4-6H,3H2,1-2H3.
What are the key properties of 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine?
2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine has a molecular weight of 165.26 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,5-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 90364026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).