2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol

C12H16N4O3S — CID 133496348

IUPAC2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol
SMILESO=[N+]([O-])c1c(NC2CCCC2CCO)nc2sccn12
InChIInChI=1S/C12H16N4O3S/c17-6-4-8-2-1-3-9(8)13-10-11(16(18)19)15-5-7-20-12(15)14-10/h5,7-9,13,17H,1-4,6H2
InChIKeyRRNBRDJXWIYKDV-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.27
Rot. Bonds5

About 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol

2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol (PubChem CID 133496348) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol
PubChem CID133496348
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol
SMILESO=[N+]([O-])c1c(NC2CCCC2CCO)nc2sccn12
InChIInChI=1S/C12H16N4O3S/c17-6-4-8-2-1-3-9(8)13-10-11(16(18)19)15-5-7-20-12(15)14-10/h5,7-9,13,17H,1-4,6H2
InChIKeyRRNBRDJXWIYKDV-UHFFFAOYSA-N
XLogP2.27
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
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

trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
N-(3-ethyl-2-methylcyclopentyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64923394
2-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propyl]cyclohexan-1-ol
CID 133384953
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
3-methyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butan-1-ol
CID 115650113
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
CID 115657955
N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103889246
[1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol
CID 115682951
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60678044
N-[(1,1-dioxothiolan-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 81042876
2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide
CID 55680997

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol (CID 133496348) is 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol is O=[N+]([O-])c1c(NC2CCCC2CCO)nc2sccn12.
What is the InChIKey of 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol?
The InChIKey is RRNBRDJXWIYKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c17-6-4-8-2-1-3-9(8)13-10-11(16(18)19)15-5-7-20-12(15)14-10/h5,7-9,13,17H,1-4,6H2.
What are the key properties of 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol?
2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol has a molecular weight of 296.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).