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

C9H10N6O3S2 — CID 106419550

IUPAC6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C9H10N6O3S2/c10-14-7-8(15-3-4-19-9(15)13-7)20(16,17)12-5-6-1-2-11-18-6/h1-4,12,14H,5,10H2
InChIKeyMREPODWHPNWVAK-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.15
Rot. Bonds5

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

6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 106419550) has the molecular formula C9H10N6O3S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID106419550
Molecular FormulaC9H10N6O3S2
Molecular Weight314.35 g/mol
Exact Mass314.03
IUPAC Name6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C9H10N6O3S2/c10-14-7-8(15-3-4-19-9(15)13-7)20(16,17)12-5-6-1-2-11-18-6/h1-4,12,14H,5,10H2
InChIKeyMREPODWHPNWVAK-UHFFFAOYSA-N
XLogP0.15
TPSA127.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.15
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

6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63293514
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
N-(4-fluorophenyl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814997
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-pyridazin-3-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 116787303
6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107296956
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-(4-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63327463
N-[1-(furan-2-yl)ethyl]-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814835

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 106419550) is 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is NNc1nc2sccn2c1S(=O)(=O)NCc1ccno1.
What is the InChIKey of 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is MREPODWHPNWVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3S2/c10-14-7-8(15-3-4-19-9(15)13-7)20(16,17)12-5-6-1-2-11-18-6/h1-4,12,14H,5,10H2.
What are the key properties of 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 314.35 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 106419550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).