2,7-di(propan-2-yl)thieno[2,3-c]pyridine

C13H17NS — CID 176624248

IUPAC2,7-di(propan-2-yl)thieno[2,3-c]pyridine
SMILESCC(C)c1cc2ccnc(C(C)C)c2s1
InChIInChI=1S/C13H17NS/c1-8(2)11-7-10-5-6-14-12(9(3)4)13(10)15-11/h5-9H,1-4H3
InChIKeyXRMKRELBFJYRGZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.54
Rot. Bonds2

About 2,7-di(propan-2-yl)thieno[2,3-c]pyridine

2,7-di(propan-2-yl)thieno[2,3-c]pyridine (PubChem CID 176624248) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2,7-di(propan-2-yl)thieno[2,3-c]pyridine
PubChem CID176624248
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name2,7-di(propan-2-yl)thieno[2,3-c]pyridine
SMILESCC(C)c1cc2ccnc(C(C)C)c2s1
InChIInChI=1S/C13H17NS/c1-8(2)11-7-10-5-6-14-12(9(3)4)13(10)15-11/h5-9H,1-4H3
InChIKeyXRMKRELBFJYRGZ-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)thieno[2,3-c]pyridine?
The IUPAC name of 2,7-di(propan-2-yl)thieno[2,3-c]pyridine (CID 176624248) is 2,7-di(propan-2-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 2,7-di(propan-2-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 2,7-di(propan-2-yl)thieno[2,3-c]pyridine is CC(C)c1cc2ccnc(C(C)C)c2s1.
What is the InChIKey of 2,7-di(propan-2-yl)thieno[2,3-c]pyridine?
The InChIKey is XRMKRELBFJYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-8(2)11-7-10-5-6-14-12(9(3)4)13(10)15-11/h5-9H,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)thieno[2,3-c]pyridine?
2,7-di(propan-2-yl)thieno[2,3-c]pyridine has a molecular weight of 219.35 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 176624248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).