6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H15N5O3S2 — CID 80714351

IUPAC6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H15N5O3S2/c12-14-9-10(16-3-4-20-11(16)13-9)21(17,18)15-7-5-6-1-2-8(7)19-6/h3-4,6-8,14-15H,1-2,5,12H2
InChIKeyRQVGZPWVSFAYIE-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.28
Rot. Bonds4

About 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 80714351) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID80714351
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC Name6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H15N5O3S2/c12-14-9-10(16-3-4-20-11(16)13-9)21(17,18)15-7-5-6-1-2-8(7)19-6/h3-4,6-8,14-15H,1-2,5,12H2
InChIKeyRQVGZPWVSFAYIE-UHFFFAOYSA-N
XLogP0.28
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.28
H-Bond Donors ≤ 53
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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Related Compounds

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[5-(4-ethylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
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6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
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CID 83025791
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CID 104967823
6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
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N-cyclobutyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62415032
N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 80714351) is 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is NNc1nc2sccn2c1S(=O)(=O)NC1CC2CCC1O2.
What is the InChIKey of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is RQVGZPWVSFAYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c12-14-9-10(16-3-4-20-11(16)13-9)21(17,18)15-7-5-6-1-2-8(7)19-6/h3-4,6-8,14-15H,1-2,5,12H2.
What are the key properties of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 329.41 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 80714351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).