5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole

C12H16N2S — CID 11637145

IUPAC5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole
SMILESC1=C(c2ccns2)CCC12CCCNC2
InChIInChI=1S/C12H16N2S/c1-4-12(9-13-6-1)5-2-10(8-12)11-3-7-14-15-11/h3,7-8,13H,1-2,4-6,9H2
InChIKeyAZKZKDXXPCLXMP-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.69
Rot. Bonds1

About 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole

5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole (PubChem CID 11637145) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole
PubChem CID11637145
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole
SMILESC1=C(c2ccns2)CCC12CCCNC2
InChIInChI=1S/C12H16N2S/c1-4-12(9-13-6-1)5-2-10(8-12)11-3-7-14-15-11/h3,7-8,13H,1-2,4-6,9H2
InChIKeyAZKZKDXXPCLXMP-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole?
The IUPAC name of 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole (CID 11637145) is 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole.
What is the SMILES notation for 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole?
The canonical SMILES for 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole is C1=C(c2ccns2)CCC12CCCNC2.
What is the InChIKey of 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole?
The InChIKey is AZKZKDXXPCLXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-12(9-13-6-1)5-2-10(8-12)11-3-7-14-15-11/h3,7-8,13H,1-2,4-6,9H2.
What are the key properties of 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole?
5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole has a molecular weight of 220.34 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azaspiro[4.5]dec-3-en-3-yl)-1,2-thiazole is sourced from PubChem (CID 11637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).