5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole

C10H14N2S — CID 68652430

IUPAC5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole
SMILESc1cc(C2CC3(CCCN3)C2)sn1
InChIInChI=1S/C10H14N2S/c1-3-10(11-4-1)6-8(7-10)9-2-5-12-13-9/h2,5,8,11H,1,3-4,6-7H2
InChIKeyQMBFAYPMSACUNO-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.14
Rot. Bonds1

About 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole

5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole (PubChem CID 68652430) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole
PubChem CID68652430
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole
SMILESc1cc(C2CC3(CCCN3)C2)sn1
InChIInChI=1S/C10H14N2S/c1-3-10(11-4-1)6-8(7-10)9-2-5-12-13-9/h2,5,8,11H,1,3-4,6-7H2
InChIKeyQMBFAYPMSACUNO-UHFFFAOYSA-N
XLogP2.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole?
The IUPAC name of 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole (CID 68652430) is 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole.
What is the SMILES notation for 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole?
The canonical SMILES for 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole is c1cc(C2CC3(CCCN3)C2)sn1.
What is the InChIKey of 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole?
The InChIKey is QMBFAYPMSACUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-10(11-4-1)6-8(7-10)9-2-5-12-13-9/h2,5,8,11H,1,3-4,6-7H2.
What are the key properties of 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole?
5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole has a molecular weight of 194.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azaspiro[3.4]octan-2-yl)-1,2-thiazole is sourced from PubChem (CID 68652430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).