5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole

C9H12N2S — CID 69470842

IUPAC5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole
SMILESc1cc(C2CCNC23CC3)sn1
InChIInChI=1S/C9H12N2S/c1-5-10-9(3-4-9)7(1)8-2-6-11-12-8/h2,6-7,10H,1,3-5H2
InChIKeyNBOLLFAZGYBDQF-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.75
Rot. Bonds1

About 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole

5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole (PubChem CID 69470842) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole
PubChem CID69470842
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole
SMILESc1cc(C2CCNC23CC3)sn1
InChIInChI=1S/C9H12N2S/c1-5-10-9(3-4-9)7(1)8-2-6-11-12-8/h2,6-7,10H,1,3-5H2
InChIKeyNBOLLFAZGYBDQF-UHFFFAOYSA-N
XLogP1.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole?
The IUPAC name of 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole (CID 69470842) is 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole.
What is the SMILES notation for 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole?
The canonical SMILES for 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole is c1cc(C2CCNC23CC3)sn1.
What is the InChIKey of 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole?
The InChIKey is NBOLLFAZGYBDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-5-10-9(3-4-9)7(1)8-2-6-11-12-8/h2,6-7,10H,1,3-5H2.
What are the key properties of 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole?
5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole has a molecular weight of 180.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azaspiro[2.4]heptan-7-yl)-1,2-thiazole is sourced from PubChem (CID 69470842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).