5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C9H12N4O3S — CID 58842898

IUPAC5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESNNc1cccc(CN2CC(=O)NS2(=O)=O)c1
InChIInChI=1S/C9H12N4O3S/c10-11-8-3-1-2-7(4-8)5-13-6-9(14)12-17(13,15)16/h1-4,11H,5-6,10H2,(H,12,14)
InChIKeyXARWXFRUQOVBIM-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.85
Rot. Bonds3

About 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 58842898) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID58842898
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESNNc1cccc(CN2CC(=O)NS2(=O)=O)c1
InChIInChI=1S/C9H12N4O3S/c10-11-8-3-1-2-7(4-8)5-13-6-9(14)12-17(13,15)16/h1-4,11H,5-6,10H2,(H,12,14)
InChIKeyXARWXFRUQOVBIM-UHFFFAOYSA-N
XLogP-0.85
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 58842898) is 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is NNc1cccc(CN2CC(=O)NS2(=O)=O)c1.
What is the InChIKey of 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is XARWXFRUQOVBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c10-11-8-3-1-2-7(4-8)5-13-6-9(14)12-17(13,15)16/h1-4,11H,5-6,10H2,(H,12,14).
What are the key properties of 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 256.29 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydrazinylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 58842898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).