5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole

C10H12N2S — CID 164650981

IUPAC5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole
SMILESC1=C(c2cncs2)CC2CCC1N2
InChIInChI=1S/C10H12N2S/c1-2-9-4-7(3-8(1)12-9)10-5-11-6-13-10/h3,5-6,8-9,12H,1-2,4H2
InChIKeyWBOSGWWNTGFCBM-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.05
Rot. Bonds1

About 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole

5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole (PubChem CID 164650981) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole
PubChem CID164650981
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole
SMILESC1=C(c2cncs2)CC2CCC1N2
InChIInChI=1S/C10H12N2S/c1-2-9-4-7(3-8(1)12-9)10-5-11-6-13-10/h3,5-6,8-9,12H,1-2,4H2
InChIKeyWBOSGWWNTGFCBM-UHFFFAOYSA-N
XLogP2.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole?
The IUPAC name of 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole (CID 164650981) is 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole is C1=C(c2cncs2)CC2CCC1N2.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole?
The InChIKey is WBOSGWWNTGFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-9-4-7(3-8(1)12-9)10-5-11-6-13-10/h3,5-6,8-9,12H,1-2,4H2.
What are the key properties of 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole?
5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole has a molecular weight of 192.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole is sourced from PubChem (CID 164650981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).