1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione

C8H10N4O2S — CID 62208353

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione
SMILESNc1snnc1CN1C(=O)CCCC1=O
InChIInChI=1S/C8H10N4O2S/c9-8-5(10-11-15-8)4-12-6(13)2-1-3-7(12)14/h1-4,9H2
InChIKeyJNBIPGXWORKEDY-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.16
Rot. Bonds2

About 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione

1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione (PubChem CID 62208353) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione
PubChem CID62208353
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione
SMILESNc1snnc1CN1C(=O)CCCC1=O
InChIInChI=1S/C8H10N4O2S/c9-8-5(10-11-15-8)4-12-6(13)2-1-3-7(12)14/h1-4,9H2
InChIKeyJNBIPGXWORKEDY-UHFFFAOYSA-N
XLogP0.16
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione (CID 62208353) is 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione is Nc1snnc1CN1C(=O)CCCC1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione?
The InChIKey is JNBIPGXWORKEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c9-8-5(10-11-15-8)4-12-6(13)2-1-3-7(12)14/h1-4,9H2.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione?
1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione has a molecular weight of 226.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 62208353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).