2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione

C11H11BrN2O2S — CID 60784662

IUPAC2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ncc(Br)s1
InChIInChI=1S/C11H11BrN2O2S/c12-7-6-13-10(17-7)14-8(15)5-11(9(14)16)3-1-2-4-11/h6H,1-5H2
InChIKeyKMYNBVDKCHDWRK-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.73
Rot. Bonds1

About 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione

2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 60784662) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID60784662
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ncc(Br)s1
InChIInChI=1S/C11H11BrN2O2S/c12-7-6-13-10(17-7)14-8(15)5-11(9(14)16)3-1-2-4-11/h6H,1-5H2
InChIKeyKMYNBVDKCHDWRK-UHFFFAOYSA-N
XLogP2.73
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43385968
2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 81274217
2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione
CID 11957948
2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride
CID 47002477
2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione
CID 79048675
2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385974
2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437122
2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385991
2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107612856
2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione
CID 79503838
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid
CID 43437159
2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43381801

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione (CID 60784662) is 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1c1ncc(Br)s1.
What is the InChIKey of 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is KMYNBVDKCHDWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c12-7-6-13-10(17-7)14-8(15)5-11(9(14)16)3-1-2-4-11/h6H,1-5H2.
What are the key properties of 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 315.19 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-thiazol-2-yl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 60784662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).