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

C12H17N5O2S — CID 62208173

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCNc1snnc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C12H17N5O2S/c1-2-13-9-8(15-16-20-9)7-17-10(18)12(14-11(17)19)5-3-4-6-12/h13H,2-7H2,1H3,(H,14,19)
InChIKeyBDBZHYOGBYUJME-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.33
Rot. Bonds4

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

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 62208173) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID62208173
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCNc1snnc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C12H17N5O2S/c1-2-13-9-8(15-16-20-9)7-17-10(18)12(14-11(17)19)5-3-4-6-12/h13H,2-7H2,1H3,(H,14,19)
InChIKeyBDBZHYOGBYUJME-UHFFFAOYSA-N
XLogP1.33
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-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]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62207147
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
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62207635

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 62208173) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CCNc1snnc1CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is BDBZHYOGBYUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-2-13-9-8(15-16-20-9)7-17-10(18)12(14-11(17)19)5-3-4-6-12/h13H,2-7H2,1H3,(H,14,19).
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 295.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 62208173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).