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

C10H13N7O2S2 — CID 63293514

IUPAC6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCn1ccnc1CNS(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C10H13N7O2S2/c1-16-3-2-12-7(16)6-13-21(18,19)9-8(15-11)14-10-17(9)4-5-20-10/h2-5,13,15H,6,11H2,1H3
InChIKeyGOEPPJQLEAWGCQ-UHFFFAOYSA-N
MW327.40 g/mol
LogP-0.11
Rot. Bonds5

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

6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63293514) has the molecular formula C10H13N7O2S2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63293514
Molecular FormulaC10H13N7O2S2
Molecular Weight327.40 g/mol
Exact Mass327.06
IUPAC Name6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCn1ccnc1CNS(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C10H13N7O2S2/c1-16-3-2-12-7(16)6-13-21(18,19)9-8(15-11)14-10-17(9)4-5-20-10/h2-5,13,15H,6,11H2,1H3
InChIKeyGOEPPJQLEAWGCQ-UHFFFAOYSA-N
XLogP-0.11
TPSA119.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106419550
2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetamide
CID 60813647
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-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64531201
N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63837318
6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107296956
6-hydrazinyl-N-(4-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63327463
N-(4-fluorophenyl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814997
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106062510
6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62157906
6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63244794

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63293514) is 6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cn1ccnc1CNS(=O)(=O)c1c(NN)nc2sccn12.
What is the InChIKey of 6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is GOEPPJQLEAWGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2S2/c1-16-3-2-12-7(16)6-13-21(18,19)9-8(15-11)14-10-17(9)4-5-20-10/h2-5,13,15H,6,11H2,1H3.
What are the key properties of 6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 327.40 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63293514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).