[4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine

C10H10N6O2S2 — CID 62245408

IUPAC[4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1CN1C=Nc2ccccc2S1(=O)=O
InChIInChI=1S/C10H10N6O2S2/c11-13-10-8(14-15-19-10)5-16-6-12-7-3-1-2-4-9(7)20(16,17)18/h1-4,6,13H,5,11H2
InChIKeyVQFQUNVEXSWUFP-UHFFFAOYSA-N
MW310.36 g/mol
LogP0.69
Rot. Bonds3

About [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine

[4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62245408) has the molecular formula C10H10N6O2S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62245408
Molecular FormulaC10H10N6O2S2
Molecular Weight310.36 g/mol
Exact Mass310.03
IUPAC Name[4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1CN1C=Nc2ccccc2S1(=O)=O
InChIInChI=1S/C10H10N6O2S2/c11-13-10-8(14-15-19-10)5-16-6-12-7-3-1-2-4-9(7)20(16,17)18/h1-4,6,13H,5,11H2
InChIKeyVQFQUNVEXSWUFP-UHFFFAOYSA-N
XLogP0.69
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine (CID 62245408) is [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine is NNc1snnc1CN1C=Nc2ccccc2S1(=O)=O.
What is the InChIKey of [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is VQFQUNVEXSWUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2S2/c11-13-10-8(14-15-19-10)5-16-6-12-7-3-1-2-4-9(7)20(16,17)18/h1-4,6,13H,5,11H2.
What are the key properties of [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine?
[4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 310.36 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).