2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine

C9H16N2S — CID 130787816

IUPAC2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine
SMILESCC1(C2C3CNC2C3)NCCS1
InChIInChI=1S/C9H16N2S/c1-9(11-2-3-12-9)8-6-4-7(8)10-5-6/h6-8,10-11H,2-5H2,1H3
InChIKeyBIDRJSNIQQSSRX-UHFFFAOYSA-N
MW184.31 g/mol
LogP0.65
Rot. Bonds1

About 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine

2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine (PubChem CID 130787816) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine
PubChem CID130787816
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine
SMILESCC1(C2C3CNC2C3)NCCS1
InChIInChI=1S/C9H16N2S/c1-9(11-2-3-12-9)8-6-4-7(8)10-5-6/h6-8,10-11H,2-5H2,1H3
InChIKeyBIDRJSNIQQSSRX-UHFFFAOYSA-N
XLogP0.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane
CID 168742834
2-azabicyclo[2.1.0]pentane;hydrochloride
CID 67309553
carbonic acid;2,2-dimethyl-1,3-thiazolidine
CID 67913382
2,3-dimethylthiomorpholin-2-amine
CID 174486373
(2R)-2-ethyl-2-methyl-1,3-thiazolidine
CID 129361769
6-azatricyclo[3.2.1.03,8]octane
CID 129230389
(1S,4R,5S)-5-fluoro-2-azabicyclo[2.1.1]hexane
CID 55280748
2-azabicyclo[2.1.1]hexane-5-thiol
CID 123927307
(2S,4R)-2,4-dicyclopropylpyrrolidine
CID 92569047
2-amino-2-(2-azabicyclo[2.1.1]hexan-5-yl)propanenitrile
CID 127016539

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine (CID 130787816) is 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine is CC1(C2C3CNC2C3)NCCS1.
What is the InChIKey of 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine?
The InChIKey is BIDRJSNIQQSSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-9(11-2-3-12-9)8-6-4-7(8)10-5-6/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine?
2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine has a molecular weight of 184.31 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 130787816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).