6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C9H12N8O2S2 — CID 64531201

IUPAC6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H12N8O2S2/c10-15-7-8(17-3-4-20-9(17)14-7)21(18,19)13-2-1-6-11-5-12-16-6/h3-5,13,15H,1-2,10H2,(H,11,12,16)
InChIKeyCRHLCQGNRNNPND-UHFFFAOYSA-N
MW328.38 g/mol
LogP-0.68
Rot. Bonds6

About 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 64531201) has the molecular formula C9H12N8O2S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID64531201
Molecular FormulaC9H12N8O2S2
Molecular Weight328.38 g/mol
Exact Mass328.05
IUPAC Name6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H12N8O2S2/c10-15-7-8(17-3-4-20-9(17)14-7)21(18,19)13-2-1-6-11-5-12-16-6/h3-5,13,15H,1-2,10H2,(H,11,12,16)
InChIKeyCRHLCQGNRNNPND-UHFFFAOYSA-N
XLogP-0.68
TPSA143.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
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-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64531115
6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812992
6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63244794
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 64526155
N-(4-fluorophenyl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814997
6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107296956
5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 64532035
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64518781
4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide
CID 62148100
6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62162817
N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63837318
6-hydrazinyl-N-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 83025791

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 64531201) is 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is NNc1nc2sccn2c1S(=O)(=O)NCCc1ncn[nH]1.
What is the InChIKey of 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is CRHLCQGNRNNPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O2S2/c10-15-7-8(17-3-4-20-9(17)14-7)21(18,19)13-2-1-6-11-5-12-16-6/h3-5,13,15H,1-2,10H2,(H,11,12,16).
What are the key properties of 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 328.38 g/mol, XLogP of -0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 64531201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).