6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C7H12N6O4S3 — CID 60812992

IUPAC6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H12N6O4S3/c8-12-5-6(13-2-3-18-7(13)11-5)20(16,17)10-1-4-19(9,14)15/h2-3,10,12H,1,4,8H2,(H2,9,14,15)
InChIKeyBMSOKOVQZFZNBF-UHFFFAOYSA-N
MW340.41 g/mol
LogP-1.75
Rot. Bonds6

About 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60812992) has the molecular formula C7H12N6O4S3 and a molecular weight of 340.41 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60812992
Molecular FormulaC7H12N6O4S3
Molecular Weight340.41 g/mol
Exact Mass340.01
IUPAC Name6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H12N6O4S3/c8-12-5-6(13-2-3-18-7(13)11-5)20(16,17)10-1-4-19(9,14)15/h2-3,10,12H,1,4,8H2,(H2,9,14,15)
InChIKeyBMSOKOVQZFZNBF-UHFFFAOYSA-N
XLogP-1.75
TPSA161.68 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
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-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide
CID 60812994
2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetamide
CID 60813647
6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64531201
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63293514
6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106419550
6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107296956
4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide
CID 62148100
6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62162817
N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63837318
N-(4-fluorophenyl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814997
N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55044056
6-hydrazinyl-N-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 83025791

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60812992) is 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is NNc1nc2sccn2c1S(=O)(=O)NCCS(N)(=O)=O.
What is the InChIKey of 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is BMSOKOVQZFZNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O4S3/c8-12-5-6(13-2-3-18-7(13)11-5)20(16,17)10-1-4-19(9,14)15/h2-3,10,12H,1,4,8H2,(H2,9,14,15).
What are the key properties of 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 340.41 g/mol, XLogP of -1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60812992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).