4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol

C11H14N4O3S — CID 80702476

IUPAC4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
SMILESCC1(O)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14N4O3S/c1-11(16)2-4-13(5-3-11)8-9(15(17)18)14-6-7-19-10(14)12-8/h6-7,16H,2-5H2,1H3
InChIKeyAEDJVFUESSUUSR-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.66
Rot. Bonds2

About 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol

4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol (PubChem CID 80702476) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
PubChem CID80702476
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
SMILESCC1(O)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14N4O3S/c1-11(16)2-4-13(5-3-11)8-9(15(17)18)14-6-7-19-10(14)12-8/h6-7,16H,2-5H2,1H3
InChIKeyAEDJVFUESSUUSR-UHFFFAOYSA-N
XLogP1.66
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.66
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

4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxylic acid
CID 63124084
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxamide
CID 40724852
N-[[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]methyl]ethanamine
CID 80546147
1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
CID 81103549
ethyl 1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxylate
CID 51245763
(3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol
CID 40725285
cyclohexyl-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methanone
CID 99251972
cyclopropyl-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-diazepan-1-yl]methanone
CID 133498971
[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]-phenylmethanone
CID 18142715
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
CID 115657955
N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide
CID 133287726
8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770462

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol (CID 80702476) is 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol is CC1(O)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1.
What is the InChIKey of 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol?
The InChIKey is AEDJVFUESSUUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-11(16)2-4-13(5-3-11)8-9(15(17)18)14-6-7-19-10(14)12-8/h6-7,16H,2-5H2,1H3.
What are the key properties of 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol?
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol has a molecular weight of 282.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol is sourced from PubChem (CID 80702476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).