8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione

C13H15NO2S — CID 150389360

IUPAC8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione
SMILESO=C1CCC(=O)C12CCC(c1nccs1)CC2
InChIInChI=1S/C13H15NO2S/c15-10-1-2-11(16)13(10)5-3-9(4-6-13)12-14-7-8-17-12/h7-9H,1-6H2
InChIKeyHBJJGOQMPQNQES-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.72
Rot. Bonds1

About 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione

8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione (PubChem CID 150389360) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione.

Molecular Properties

Compound Name8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione
PubChem CID150389360
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione
SMILESO=C1CCC(=O)C12CCC(c1nccs1)CC2
InChIInChI=1S/C13H15NO2S/c15-10-1-2-11(16)13(10)5-3-9(4-6-13)12-14-7-8-17-12/h7-9H,1-6H2
InChIKeyHBJJGOQMPQNQES-UHFFFAOYSA-N
XLogP2.72
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
CID 59496771
[4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride
CID 158523431
(5S)-5-(1,3-thiazol-2-yl)oxolan-2-one
CID 71354365
2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole
CID 170533293
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
2-ethylimino-5-(1,3-thiazol-2-yl)imidazolidin-4-one
CID 136706810
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
CID 91601557
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110289798

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione?
The IUPAC name of 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione (CID 150389360) is 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione.
What is the SMILES notation for 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione?
The canonical SMILES for 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione is O=C1CCC(=O)C12CCC(c1nccs1)CC2.
What is the InChIKey of 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione?
The InChIKey is HBJJGOQMPQNQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-10-1-2-11(16)13(10)5-3-9(4-6-13)12-14-7-8-17-12/h7-9H,1-6H2.
What are the key properties of 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione?
8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione has a molecular weight of 249.33 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione is sourced from PubChem (CID 150389360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).