7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine

C13H15NOS — CID 165476405

IUPAC7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
SMILESCc1cc(C2NCCc3ccoc32)c(C)s1
InChIInChI=1S/C13H15NOS/c1-8-7-11(9(2)16-8)12-13-10(3-5-14-12)4-6-15-13/h4,6-7,12,14H,3,5H2,1-2H3
InChIKeyBRLYLCWOXLDZSF-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.19
Rot. Bonds1

About 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine

7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine (PubChem CID 165476405) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
PubChem CID165476405
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
SMILESCc1cc(C2NCCc3ccoc32)c(C)s1
InChIInChI=1S/C13H15NOS/c1-8-7-11(9(2)16-8)12-13-10(3-5-14-12)4-6-15-13/h4,6-7,12,14H,3,5H2,1-2H3
InChIKeyBRLYLCWOXLDZSF-UHFFFAOYSA-N
XLogP3.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine?
The IUPAC name of 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine (CID 165476405) is 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine.
What is the SMILES notation for 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine?
The canonical SMILES for 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine is Cc1cc(C2NCCc3ccoc32)c(C)s1.
What is the InChIKey of 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine?
The InChIKey is BRLYLCWOXLDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-8-7-11(9(2)16-8)12-13-10(3-5-14-12)4-6-15-13/h4,6-7,12,14H,3,5H2,1-2H3.
What are the key properties of 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine?
7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine has a molecular weight of 233.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine is sourced from PubChem (CID 165476405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).