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

C8H9N7O2S2 — CID 55212771

IUPAC6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H9N7O2S2/c9-13-5-6(15-3-4-18-8(15)12-5)19(16,17)14-7-10-1-2-11-7/h1-4,13H,9H2,(H2,10,11,14)
InChIKeyRLIJQZCGNYSSSO-UHFFFAOYSA-N
MW299.34 g/mol
LogP0.21
Rot. Bonds4

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

6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 55212771) has the molecular formula C8H9N7O2S2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID55212771
Molecular FormulaC8H9N7O2S2
Molecular Weight299.34 g/mol
Exact Mass299.03
IUPAC Name6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H9N7O2S2/c9-13-5-6(15-3-4-18-8(15)12-5)19(16,17)14-7-10-1-2-11-7/h1-4,13H,9H2,(H2,10,11,14)
InChIKeyRLIJQZCGNYSSSO-UHFFFAOYSA-N
XLogP0.21
TPSA130.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.21
H-Bond Donors ≤ 54
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 6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 55212771) is 6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is NNc1nc2sccn2c1S(=O)(=O)Nc1ncc[nH]1.
What is the InChIKey of 6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is RLIJQZCGNYSSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O2S2/c9-13-5-6(15-3-4-18-8(15)12-5)19(16,17)14-7-10-1-2-11-7/h1-4,13H,9H2,(H2,10,11,14).
What are the key properties of 6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 299.34 g/mol, XLogP of 0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 55212771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).