[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine

C12H19N5O2S2 — CID 104967823

IUPAC[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C12H19N5O2S2/c1-8-4-3-5-9(2)17(8)21(18,19)11-10(15-13)14-12-16(11)6-7-20-12/h6-9,15H,3-5,13H2,1-2H3/t8-,9+
InChIKeyQRTYVPVXULBBAD-DTORHVGOSA-N
MW329.45 g/mol
LogP1.63
Rot. Bonds3

About [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine

[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine (PubChem CID 104967823) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
PubChem CID104967823
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C12H19N5O2S2/c1-8-4-3-5-9(2)17(8)21(18,19)11-10(15-13)14-12-16(11)6-7-20-12/h6-9,15H,3-5,13H2,1-2H3/t8-,9+
InChIKeyQRTYVPVXULBBAD-DTORHVGOSA-N
XLogP1.63
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 104968740
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 104959246
N-cyclohexyl-6-hydrazinyl-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814489
[5-(4-ethylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 61421703
[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102782000
[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-(oxolan-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814666
5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 79180679
N-cyclobutyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62415032
6-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60890457
6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 54882392

Frequently Asked Questions

What is the IUPAC name of [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine?
The IUPAC name of [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine (CID 104967823) is [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine.
What is the SMILES notation for [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine?
The canonical SMILES for [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1c(NN)nc2sccn12.
What is the InChIKey of [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine?
The InChIKey is QRTYVPVXULBBAD-DTORHVGOSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-8-4-3-5-9(2)17(8)21(18,19)11-10(15-13)14-12-16(11)6-7-20-12/h6-9,15H,3-5,13H2,1-2H3/t8-,9+.
What are the key properties of [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine?
[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine has a molecular weight of 329.45 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine is sourced from PubChem (CID 104967823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).