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

C11H14N4O3S — CID 115657955

IUPAC2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
SMILESO=[N+]([O-])c1c(N2CCC(CCO)C2)nc2sccn12
InChIInChI=1S/C11H14N4O3S/c16-5-2-8-1-3-13(7-8)9-10(15(17)18)14-4-6-19-11(14)12-9/h4,6,8,16H,1-3,5,7H2
InChIKeyPXQAEXMGGJSIMY-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.51
Rot. Bonds4

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

2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol (PubChem CID 115657955) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
PubChem CID115657955
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
SMILESO=[N+]([O-])c1c(N2CCC(CCO)C2)nc2sccn12
InChIInChI=1S/C11H14N4O3S/c16-5-2-8-1-3-13(7-8)9-10(15(17)18)14-4-6-19-11(14)12-9/h4,6,8,16H,1-3,5,7H2
InChIKeyPXQAEXMGGJSIMY-UHFFFAOYSA-N
XLogP1.51
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.51
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

2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide
CID 133355900
N-[[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]methyl]ethanamine
CID 80546147
(3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol
CID 40725285
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxamide
CID 40724852
ethyl 1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxylate
CID 51245763
2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798563
2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798675
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431524
[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]-phenylmethanone
CID 18142715
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
CID 80702476
6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113417949
2-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-yl]ethanol
CID 107228114

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol (CID 115657955) is 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol is O=[N+]([O-])c1c(N2CCC(CCO)C2)nc2sccn12.
What is the InChIKey of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is PXQAEXMGGJSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c16-5-2-8-1-3-13(7-8)9-10(15(17)18)14-4-6-19-11(14)12-9/h4,6,8,16H,1-3,5,7H2.
What are the key properties of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol?
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 282.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115657955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).