5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane

C16H18N2S — CID 69052513

IUPAC5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
SMILESc1csc(-c2ccc(C34CCCN(CC3)C4)cn2)c1
InChIInChI=1S/C16H18N2S/c1-3-15(19-10-1)14-5-4-13(11-17-14)16-6-2-8-18(12-16)9-7-16/h1,3-5,10-11H,2,6-9,12H2
InChIKeyNFRMJSVKUPOIPL-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.55
Rot. Bonds2

About 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane

5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane (PubChem CID 69052513) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
PubChem CID69052513
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
SMILESc1csc(-c2ccc(C34CCCN(CC3)C4)cn2)c1
InChIInChI=1S/C16H18N2S/c1-3-15(19-10-1)14-5-4-13(11-17-14)16-6-2-8-18(12-16)9-7-16/h1,3-5,10-11H,2,6-9,12H2
InChIKeyNFRMJSVKUPOIPL-UHFFFAOYSA-N
XLogP3.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide
CID 69060308
5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane
CID 141289198
4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane
CID 67493852
ethane;5-methyl-2-thiophen-2-ylpyridine
CID 143559622
6-thiophen-2-ylpyridine-3-carboxylic acid
CID 15411144
5-tert-butyl-2-thiophen-2-ylpyridine
CID 59737214
4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane
CID 67494131
2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine
CID 51371047
5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane
CID 126839562
(2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone
CID 10038899
2-chloro-5-thiophen-2-ylpyrazine
CID 16740536
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 66493934

Frequently Asked Questions

What is the IUPAC name of 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane (CID 69052513) is 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane is c1csc(-c2ccc(C34CCCN(CC3)C4)cn2)c1.
What is the InChIKey of 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane?
The InChIKey is NFRMJSVKUPOIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-3-15(19-10-1)14-5-4-13(11-17-14)16-6-2-8-18(12-16)9-7-16/h1,3-5,10-11H,2,6-9,12H2.
What are the key properties of 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane?
5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane has a molecular weight of 270.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 69052513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).