3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C11H15N5O2S — CID 55046336

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1snnc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C11H15N5O2S/c12-8-7(14-15-19-8)6-16-9(17)11(13-10(16)18)4-2-1-3-5-11/h1-6,12H2,(H,13,18)
InChIKeyMFICGASDGQTWKT-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.88
Rot. Bonds2

About 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55046336) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID55046336
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1snnc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C11H15N5O2S/c12-8-7(14-15-19-8)6-16-9(17)11(13-10(16)18)4-2-1-3-5-11/h1-6,12H2,(H,13,18)
InChIKeyMFICGASDGQTWKT-UHFFFAOYSA-N
XLogP0.88
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55046336) is 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Nc1snnc1CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MFICGASDGQTWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-8-7(14-15-19-8)6-16-9(17)11(13-10(16)18)4-2-1-3-5-11/h1-6,12H2,(H,13,18).
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 281.34 g/mol, XLogP of 0.88, 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[4.5]decane-2,4-dione is sourced from PubChem (CID 55046336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).