5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine

C9H10N4O2S2 — CID 113244170

IUPAC5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCSC2)nc2sccn12
InChIInChI=1S/C9H10N4O2S2/c14-13(15)8-7(10-6-1-3-16-5-6)11-9-12(8)2-4-17-9/h2,4,6,10H,1,3,5H2
InChIKeyWXXSRONQQZUHOU-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.22
Rot. Bonds3

About 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 113244170) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID113244170
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCSC2)nc2sccn12
InChIInChI=1S/C9H10N4O2S2/c14-13(15)8-7(10-6-1-3-16-5-6)11-9-12(8)2-4-17-9/h2,4,6,10H,1,3,5H2
InChIKeyWXXSRONQQZUHOU-UHFFFAOYSA-N
XLogP2.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 61230649
N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103889246
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60678044
N-(3-ethyl-2-methylcyclopentyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64923394
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol
CID 133496348
2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide
CID 55680997
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 133439352
N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095496
6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286798
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 113244170) is 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NC2CCSC2)nc2sccn12.
What is the InChIKey of 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is WXXSRONQQZUHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c14-13(15)8-7(10-6-1-3-16-5-6)11-9-12(8)2-4-17-9/h2,4,6,10H,1,3,5H2.
What are the key properties of 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 270.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 113244170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).