5,7-di(propan-2-yl)thieno[2,3-c]pyridine

C13H17NS — CID 166928796

IUPAC5,7-di(propan-2-yl)thieno[2,3-c]pyridine
SMILESCC(C)c1cc2ccsc2c(C(C)C)n1
InChIInChI=1S/C13H17NS/c1-8(2)11-7-10-5-6-15-13(10)12(14-11)9(3)4/h5-9H,1-4H3
InChIKeyUJTJOHWWFDJJSM-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.54
Rot. Bonds2

About 5,7-di(propan-2-yl)thieno[2,3-c]pyridine

5,7-di(propan-2-yl)thieno[2,3-c]pyridine (PubChem CID 166928796) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name5,7-di(propan-2-yl)thieno[2,3-c]pyridine
PubChem CID166928796
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name5,7-di(propan-2-yl)thieno[2,3-c]pyridine
SMILESCC(C)c1cc2ccsc2c(C(C)C)n1
InChIInChI=1S/C13H17NS/c1-8(2)11-7-10-5-6-15-13(10)12(14-11)9(3)4/h5-9H,1-4H3
InChIKeyUJTJOHWWFDJJSM-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 5,7-di(propan-2-yl)thieno[2,3-c]pyridine?
The IUPAC name of 5,7-di(propan-2-yl)thieno[2,3-c]pyridine (CID 166928796) is 5,7-di(propan-2-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 5,7-di(propan-2-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 5,7-di(propan-2-yl)thieno[2,3-c]pyridine is CC(C)c1cc2ccsc2c(C(C)C)n1.
What is the InChIKey of 5,7-di(propan-2-yl)thieno[2,3-c]pyridine?
The InChIKey is UJTJOHWWFDJJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-8(2)11-7-10-5-6-15-13(10)12(14-11)9(3)4/h5-9H,1-4H3.
What are the key properties of 5,7-di(propan-2-yl)thieno[2,3-c]pyridine?
5,7-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 5,7-di(propan-2-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 166928796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).