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

C10H13N5O2S — CID 62208005

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNc1snnc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C10H13N5O2S/c11-7-6(13-14-18-7)5-15-8(16)10(12-9(15)17)3-1-2-4-10/h1-5,11H2,(H,12,17)
InChIKeyRZZNZTDBKRGEKH-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.48
Rot. Bonds2

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

3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 62208005) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID62208005
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNc1snnc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C10H13N5O2S/c11-7-6(13-14-18-7)5-15-8(16)10(12-9(15)17)3-1-2-4-10/h1-5,11H2,(H,12,17)
InChIKeyRZZNZTDBKRGEKH-UHFFFAOYSA-N
XLogP0.48
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.48
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-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17483138
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43407969
3-[(5-Aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55046336
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-Aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62207486
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62207635
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62207636
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 62208172
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 62208173

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 62208005) is 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is Nc1snnc1CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RZZNZTDBKRGEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c11-7-6(13-14-18-7)5-15-8(16)10(12-9(15)17)3-1-2-4-10/h1-5,11H2,(H,12,17).
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 267.31 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 62208005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).