3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C11H15N5O2S — CID 62208172

IUPAC3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCNc1snnc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H15N5O2S/c1-12-8-7(14-15-19-8)6-16-9(17)11(13-10(16)18)4-2-3-5-11/h12H,2-6H2,1H3,(H,13,18)
InChIKeyMMHWHCXCANVMSP-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.94
Rot. Bonds3

About 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 62208172) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID62208172
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCNc1snnc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H15N5O2S/c1-12-8-7(14-15-19-8)6-16-9(17)11(13-10(16)18)4-2-3-5-11/h12H,2-6H2,1H3,(H,13,18)
InChIKeyMMHWHCXCANVMSP-UHFFFAOYSA-N
XLogP0.94
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265487
5-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265689
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17483138
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
3-[(5-Aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55046336
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 55046622
5,5-Dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 55046675
5-Ethyl-5-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62207144
3-[(5-Aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62207301
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 62207312
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 62207313
5-Propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62207477

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 62208172) is 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CNc1snnc1CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is MMHWHCXCANVMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-12-8-7(14-15-19-8)6-16-9(17)11(13-10(16)18)4-2-3-5-11/h12H,2-6H2,1H3,(H,13,18).
What are the key properties of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 281.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 62208172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).