5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole

C12H18N2S — CID 68652466

IUPAC5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole
SMILESc1cc(C2CCC3(CCCN3)CC2)sn1
InChIInChI=1S/C12H18N2S/c1-5-12(13-8-1)6-2-10(3-7-12)11-4-9-14-15-11/h4,9-10,13H,1-3,5-8H2
InChIKeyFWXNWOBMHPMKRR-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.92
Rot. Bonds1

About 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole

5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole (PubChem CID 68652466) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole
PubChem CID68652466
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole
SMILESc1cc(C2CCC3(CCCN3)CC2)sn1
InChIInChI=1S/C12H18N2S/c1-5-12(13-8-1)6-2-10(3-7-12)11-4-9-14-15-11/h4,9-10,13H,1-3,5-8H2
InChIKeyFWXNWOBMHPMKRR-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole?
The IUPAC name of 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole (CID 68652466) is 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole.
What is the SMILES notation for 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole?
The canonical SMILES for 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole is c1cc(C2CCC3(CCCN3)CC2)sn1.
What is the InChIKey of 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole?
The InChIKey is FWXNWOBMHPMKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-5-12(13-8-1)6-2-10(3-7-12)11-4-9-14-15-11/h4,9-10,13H,1-3,5-8H2.
What are the key properties of 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole?
5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole has a molecular weight of 222.36 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azaspiro[4.5]decan-8-yl)-1,2-thiazole is sourced from PubChem (CID 68652466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).