[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine

C11H15N5O3S2 — CID 66370094

IUPAC[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
SMILESNNc1nc2sccn2c1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H15N5O3S2/c12-14-9-10(16-3-4-20-11(16)13-9)21(17,18)15-5-7-1-2-8(6-15)19-7/h3-4,7-8,14H,1-2,5-6,12H2
InChIKeyZXCCQDBWKKFSEY-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.23
Rot. Bonds3

About [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine

[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine (PubChem CID 66370094) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine.

Molecular Properties

Compound Name[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
PubChem CID66370094
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC Name[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
SMILESNNc1nc2sccn2c1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H15N5O3S2/c12-14-9-10(16-3-4-20-11(16)13-9)21(17,18)15-5-7-1-2-8(6-15)19-7/h3-4,7-8,14H,1-2,5-6,12H2
InChIKeyZXCCQDBWKKFSEY-UHFFFAOYSA-N
XLogP0.23
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
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

[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 104959246
[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidin-3-yl]methanol
CID 115965507
[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-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 104967823
5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 79180679
[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102782000
N-cyclohexyl-6-hydrazinyl-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814489
6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107296956
6-hydrazinyl-N-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 83025791
N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62147094
5-(3-methoxypyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 103538307

Frequently Asked Questions

What is the IUPAC name of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine?
The IUPAC name of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine (CID 66370094) is [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine.
What is the SMILES notation for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine?
The canonical SMILES for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine is NNc1nc2sccn2c1S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine?
The InChIKey is ZXCCQDBWKKFSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c12-14-9-10(16-3-4-20-11(16)13-9)21(17,18)15-5-7-1-2-8(6-15)19-7/h3-4,7-8,14H,1-2,5-6,12H2.
What are the key properties of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine?
[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine has a molecular weight of 329.41 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine is sourced from PubChem (CID 66370094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).