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

C13H18N4O3S — CID 133439352

IUPAC5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1(C)CC(Nc2nc3sccn3c2[N+](=O)[O-])C(C)(C)O1
InChIInChI=1S/C13H18N4O3S/c1-12(2)7-8(13(3,4)20-12)14-9-10(17(18)19)16-5-6-21-11(16)15-9/h5-6,8,14H,7H2,1-4H3
InChIKeyOPTUENOVCVZOMU-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.06
Rot. Bonds3

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

5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 133439352) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID133439352
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1(C)CC(Nc2nc3sccn3c2[N+](=O)[O-])C(C)(C)O1
InChIInChI=1S/C13H18N4O3S/c1-12(2)7-8(13(3,4)20-12)14-9-10(17(18)19)16-5-6-21-11(16)15-9/h5-6,8,14H,7H2,1-4H3
InChIKeyOPTUENOVCVZOMU-UHFFFAOYSA-N
XLogP3.06
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.06
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-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133363295
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103889246
5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 113244170
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 61230649
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-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095496
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
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60701927

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 133439352) is 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine is CC1(C)CC(Nc2nc3sccn3c2[N+](=O)[O-])C(C)(C)O1.
What is the InChIKey of 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is OPTUENOVCVZOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-12(2)7-8(13(3,4)20-12)14-9-10(17(18)19)16-5-6-21-11(16)15-9/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 310.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 133439352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).