5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole

C12H17N3S — CID 69341078

IUPAC5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole
SMILESc1cc(C2CC3CCN2C32CCNC2)sn1
InChIInChI=1S/C12H17N3S/c1-4-14-16-11(1)10-7-9-2-6-15(10)12(9)3-5-13-8-12/h1,4,9-10,13H,2-3,5-8H2
InChIKeyIFKUGNYCEQPWLH-UHFFFAOYSA-N
MW235.36 g/mol
LogP1.64
Rot. Bonds1

About 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole

5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole (PubChem CID 69341078) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole.

Molecular Properties

Compound Name5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole
PubChem CID69341078
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole
SMILESc1cc(C2CC3CCN2C32CCNC2)sn1
InChIInChI=1S/C12H17N3S/c1-4-14-16-11(1)10-7-9-2-6-15(10)12(9)3-5-13-8-12/h1,4,9-10,13H,2-3,5-8H2
InChIKeyIFKUGNYCEQPWLH-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole?
The IUPAC name of 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole (CID 69341078) is 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole.
What is the SMILES notation for 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole?
The canonical SMILES for 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole is c1cc(C2CC3CCN2C32CCNC2)sn1.
What is the InChIKey of 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole?
The InChIKey is IFKUGNYCEQPWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-14-16-11(1)10-7-9-2-6-15(10)12(9)3-5-13-8-12/h1,4,9-10,13H,2-3,5-8H2.
What are the key properties of 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole?
5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole has a molecular weight of 235.36 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole is sourced from PubChem (CID 69341078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).