4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine

C17H22N2S — CID 131893420

IUPAC4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine
SMILESCC(C)Cc1ccc(CN2CC(c3ccncc3)C2)s1
InChIInChI=1S/C17H22N2S/c1-13(2)9-16-3-4-17(20-16)12-19-10-15(11-19)14-5-7-18-8-6-14/h3-8,13,15H,9-12H2,1-2H3
InChIKeyUIGYAPOTGIPXLJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.94
Rot. Bonds5

About 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine

4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine (PubChem CID 131893420) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine
PubChem CID131893420
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine
SMILESCC(C)Cc1ccc(CN2CC(c3ccncc3)C2)s1
InChIInChI=1S/C17H22N2S/c1-13(2)9-16-3-4-17(20-16)12-19-10-15(11-19)14-5-7-18-8-6-14/h3-8,13,15H,9-12H2,1-2H3
InChIKeyUIGYAPOTGIPXLJ-UHFFFAOYSA-N
XLogP3.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine?
The IUPAC name of 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine (CID 131893420) is 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine.
What is the SMILES notation for 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine?
The canonical SMILES for 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine is CC(C)Cc1ccc(CN2CC(c3ccncc3)C2)s1.
What is the InChIKey of 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine?
The InChIKey is UIGYAPOTGIPXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13(2)9-16-3-4-17(20-16)12-19-10-15(11-19)14-5-7-18-8-6-14/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine?
4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine has a molecular weight of 286.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine is sourced from PubChem (CID 131893420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).