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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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).