N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide

C9H14N6O3S2 — CID 60812994

IUPACN-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C9H14N6O3S2/c1-6(16)11-2-3-12-20(17,18)8-7(14-10)13-9-15(8)4-5-19-9/h4-5,12,14H,2-3,10H2,1H3,(H,11,16)
InChIKeyBDYHKXKKEPHDJF-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.90
Rot. Bonds6

About N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide

N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide (PubChem CID 60812994) has the molecular formula C9H14N6O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide
PubChem CID60812994
Molecular FormulaC9H14N6O3S2
Molecular Weight318.38 g/mol
Exact Mass318.06
IUPAC NameN-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C9H14N6O3S2/c1-6(16)11-2-3-12-20(17,18)8-7(14-10)13-9-15(8)4-5-19-9/h4-5,12,14H,2-3,10H2,1H3,(H,11,16)
InChIKeyBDYHKXKKEPHDJF-UHFFFAOYSA-N
XLogP-0.90
TPSA130.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetamide
CID 60813647
4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide
CID 62148100
6-hydrazinyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64531201
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63293514
6-hydrazinyl-N-(thiolan-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107296956
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-(1,2-oxazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106419550
N-(4-fluorophenyl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814997
2-[[6-(propylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]acetamide
CID 62150050
N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55044056

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide (CID 60812994) is N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1c(NN)nc2sccn12.
What is the InChIKey of N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is BDYHKXKKEPHDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3S2/c1-6(16)11-2-3-12-20(17,18)8-7(14-10)13-9-15(8)4-5-19-9/h4-5,12,14H,2-3,10H2,1H3,(H,11,16).
What are the key properties of N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide?
N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of -0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 60812994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).