6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C9H9N7O2S2 — CID 116787303

IUPAC6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C9H9N7O2S2/c10-13-7-8(16-4-5-19-9(16)12-7)20(17,18)15-6-2-1-3-11-14-6/h1-5,13H,10H2,(H,14,15)
InChIKeyIRIWCCBWGXFOLH-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.27
Rot. Bonds4

About 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 116787303) has the molecular formula C9H9N7O2S2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID116787303
Molecular FormulaC9H9N7O2S2
Molecular Weight311.35 g/mol
Exact Mass311.03
IUPAC Name6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C9H9N7O2S2/c10-13-7-8(16-4-5-19-9(16)12-7)20(17,18)15-6-2-1-3-11-14-6/h1-5,13H,10H2,(H,14,15)
InChIKeyIRIWCCBWGXFOLH-UHFFFAOYSA-N
XLogP0.27
TPSA127.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814997
6-hydrazinyl-N-(4-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63327463
2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetamide
CID 60813647
6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812992
N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide
CID 60812994
6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106419550
N-[1-(furan-2-yl)ethyl]-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814835
6-(methylamino)-N-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62147730
6-hydrazinyl-N-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 83025791
N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63837318
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63293514
6-chloro-N-(4-chloro-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103747738

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 116787303) is 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is NNc1nc2sccn2c1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is IRIWCCBWGXFOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O2S2/c10-13-7-8(16-4-5-19-9(16)12-7)20(17,18)15-6-2-1-3-11-14-6/h1-5,13H,10H2,(H,14,15).
What are the key properties of 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 311.35 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 116787303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).