N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C11H14N4O3S — CID 103889246

IUPACN-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1CC(Nc2nc3sccn3c2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H14N4O3S/c1-7-6-8(2-4-18-7)12-9-10(15(16)17)14-3-5-19-11(14)13-9/h3,5,7-8,12H,2,4,6H2,1H3
InChIKeyHQIZLYFLDZPIDU-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.28
Rot. Bonds3

About N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 103889246) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID103889246
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC NameN-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1CC(Nc2nc3sccn3c2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H14N4O3S/c1-7-6-8(2-4-18-7)12-9-10(15(16)17)14-3-5-19-11(14)13-9/h3,5,7-8,12H,2,4,6H2,1H3
InChIKeyHQIZLYFLDZPIDU-UHFFFAOYSA-N
XLogP2.28
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.28
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
5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 113244170
N-(3-ethyl-2-methylcyclopentyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64923394
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
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
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60678044
2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide
CID 55680997
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
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133363295

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 103889246) is N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CC1CC(Nc2nc3sccn3c2[N+](=O)[O-])CCO1.
What is the InChIKey of N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is HQIZLYFLDZPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7-6-8(2-4-18-7)12-9-10(15(16)17)14-3-5-19-11(14)13-9/h3,5,7-8,12H,2,4,6H2,1H3.
What are the key properties of N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 282.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 103889246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).