4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine

C16H19ClN2S — CID 166024097

IUPAC4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine
SMILESCC(C)(C)c1cc(C2CN(c3ccncc3)C2)c(Cl)s1
InChIInChI=1S/C16H19ClN2S/c1-16(2,3)14-8-13(15(17)20-14)11-9-19(10-11)12-4-6-18-7-5-12/h4-8,11H,9-10H2,1-3H3
InChIKeyGRFKBKCDILRAHH-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.70
Rot. Bonds2

About 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine

4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine (PubChem CID 166024097) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine
PubChem CID166024097
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine
SMILESCC(C)(C)c1cc(C2CN(c3ccncc3)C2)c(Cl)s1
InChIInChI=1S/C16H19ClN2S/c1-16(2,3)14-8-13(15(17)20-14)11-9-19(10-11)12-4-6-18-7-5-12/h4-8,11H,9-10H2,1-3H3
InChIKeyGRFKBKCDILRAHH-UHFFFAOYSA-N
XLogP4.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine?
The IUPAC name of 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine (CID 166024097) is 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine.
What is the SMILES notation for 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine?
The canonical SMILES for 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine is CC(C)(C)c1cc(C2CN(c3ccncc3)C2)c(Cl)s1.
What is the InChIKey of 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine?
The InChIKey is GRFKBKCDILRAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-16(2,3)14-8-13(15(17)20-14)11-9-19(10-11)12-4-6-18-7-5-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine?
4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine has a molecular weight of 306.86 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine is sourced from PubChem (CID 166024097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).