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

C10H15N5O2S3 — CID 107296956

IUPAC6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C10H15N5O2S3/c11-14-8-9(15-2-4-19-10(15)13-8)20(16,17)12-5-7-1-3-18-6-7/h2,4,7,12,14H,1,3,5-6,11H2
InChIKeyBYOFBEJBNVSGSV-UHFFFAOYSA-N
MW333.46 g/mol
LogP0.71
Rot. Bonds5

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

6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 107296956) has the molecular formula C10H15N5O2S3 and a molecular weight of 333.46 g/mol. Its IUPAC name is 6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID107296956
Molecular FormulaC10H15N5O2S3
Molecular Weight333.46 g/mol
Exact Mass333.04
IUPAC Name6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C10H15N5O2S3/c11-14-8-9(15-2-4-19-10(15)13-8)20(16,17)12-5-7-1-3-18-6-7/h2,4,7,12,14H,1,3,5-6,11H2
InChIKeyBYOFBEJBNVSGSV-UHFFFAOYSA-N
XLogP0.71
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 50.71
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

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-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 80586000
[5-(4-ethylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 61421703
6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 80714351
[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 66370094
[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidin-3-yl]methanol
CID 115965507
6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106419550
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63293514
[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 104967823
6-hydrazinyl-N-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 83025791
6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64531201

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 107296956) is 6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is NNc1nc2sccn2c1S(=O)(=O)NCC1CCSC1.
What is the InChIKey of 6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is BYOFBEJBNVSGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S3/c11-14-8-9(15-2-4-19-10(15)13-8)20(16,17)12-5-7-1-3-18-6-7/h2,4,7,12,14H,1,3,5-6,11H2.
What are the key properties of 6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 107296956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).