4-tert-butylthieno[2,3-c]pyridine;ethane

C13H19NS — CID 157336528

IUPAC4-tert-butylthieno[2,3-c]pyridine;ethane
SMILESCC.CC(C)(C)c1cncc2sccc12
InChIInChI=1S/C11H13NS.C2H6/c1-11(2,3)9-6-12-7-10-8(9)4-5-13-10;1-2/h4-7H,1-3H3;1-2H3
InChIKeyBFXBFBGNCJYVLU-UHFFFAOYSA-N
MW221.37 g/mol
LogP4.62
Rot. Bonds

About 4-tert-butylthieno[2,3-c]pyridine;ethane

4-tert-butylthieno[2,3-c]pyridine;ethane (PubChem CID 157336528) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-tert-butylthieno[2,3-c]pyridine;ethane.

Molecular Properties

Compound Name4-tert-butylthieno[2,3-c]pyridine;ethane
PubChem CID157336528
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-tert-butylthieno[2,3-c]pyridine;ethane
SMILESCC.CC(C)(C)c1cncc2sccc12
InChIInChI=1S/C11H13NS.C2H6/c1-11(2,3)9-6-12-7-10-8(9)4-5-13-10;1-2/h4-7H,1-3H3;1-2H3
InChIKeyBFXBFBGNCJYVLU-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylthieno[2,3-c]pyridine;ethane?
The IUPAC name of 4-tert-butylthieno[2,3-c]pyridine;ethane (CID 157336528) is 4-tert-butylthieno[2,3-c]pyridine;ethane.
What is the SMILES notation for 4-tert-butylthieno[2,3-c]pyridine;ethane?
The canonical SMILES for 4-tert-butylthieno[2,3-c]pyridine;ethane is CC.CC(C)(C)c1cncc2sccc12.
What is the InChIKey of 4-tert-butylthieno[2,3-c]pyridine;ethane?
The InChIKey is BFXBFBGNCJYVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS.C2H6/c1-11(2,3)9-6-12-7-10-8(9)4-5-13-10;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of 4-tert-butylthieno[2,3-c]pyridine;ethane?
4-tert-butylthieno[2,3-c]pyridine;ethane has a molecular weight of 221.37 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylthieno[2,3-c]pyridine;ethane is sourced from PubChem (CID 157336528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).