5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole

C11H16N2S — CID 11694156

IUPAC5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole
SMILESc1cc(C2CCC3(CCNC3)C2)sn1
InChIInChI=1S/C11H16N2S/c1-3-11(4-6-12-8-11)7-9(1)10-2-5-13-14-10/h2,5,9,12H,1,3-4,6-8H2
InChIKeySDBWKWBKYRNUEE-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.39
Rot. Bonds1

About 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole

5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole (PubChem CID 11694156) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole
PubChem CID11694156
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole
SMILESc1cc(C2CCC3(CCNC3)C2)sn1
InChIInChI=1S/C11H16N2S/c1-3-11(4-6-12-8-11)7-9(1)10-2-5-13-14-10/h2,5,9,12H,1,3-4,6-8H2
InChIKeySDBWKWBKYRNUEE-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole?
The IUPAC name of 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole (CID 11694156) is 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole.
What is the SMILES notation for 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole?
The canonical SMILES for 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole is c1cc(C2CCC3(CCNC3)C2)sn1.
What is the InChIKey of 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole?
The InChIKey is SDBWKWBKYRNUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-3-11(4-6-12-8-11)7-9(1)10-2-5-13-14-10/h2,5,9,12H,1,3-4,6-8H2.
What are the key properties of 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole?
5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole has a molecular weight of 208.33 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[4.4]nonan-8-yl)-1,2-thiazole is sourced from PubChem (CID 11694156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).