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

C10H12N4O3S — CID 40725285

IUPAC(3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol
SMILESO=[N+]([O-])c1c(N2CCC[C@@H](O)C2)nc2sccn12
InChIInChI=1S/C10H12N4O3S/c15-7-2-1-3-12(6-7)8-9(14(16)17)13-4-5-18-10(13)11-8/h4-5,7,15H,1-3,6H2/t7-/m1/s1
InChIKeyAQHRYECPWCJNGM-SSDOTTSWSA-N
MW268.30 g/mol
LogP1.27
Rot. Bonds2

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

(3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol (PubChem CID 40725285) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol
PubChem CID40725285
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name(3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol
SMILESO=[N+]([O-])c1c(N2CCC[C@@H](O)C2)nc2sccn12
InChIInChI=1S/C10H12N4O3S/c15-7-2-1-3-12(6-7)8-9(14(16)17)13-4-5-18-10(13)11-8/h4-5,7,15H,1-3,6H2/t7-/m1/s1
InChIKeyAQHRYECPWCJNGM-SSDOTTSWSA-N
XLogP1.27
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.27
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'}

Analyze (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide
CID 133355900
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
CID 115657955
6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 133422956
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431524
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)piperidine-4-carboxamide
CID 40724852
cyclohexyl-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methanone
CID 99251972
8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770462
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
CID 80702476
N-[[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]methyl]ethanamine
CID 80546147
[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]-phenylmethanone
CID 18142715
ethyl 1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxylate
CID 51245763

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol?
The IUPAC name of (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol (CID 40725285) is (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol?
The canonical SMILES for (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol is O=[N+]([O-])c1c(N2CCC[C@@H](O)C2)nc2sccn12.
What is the InChIKey of (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol?
The InChIKey is AQHRYECPWCJNGM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N4O3S/c15-7-2-1-3-12(6-7)8-9(14(16)17)13-4-5-18-10(13)11-8/h4-5,7,15H,1-3,6H2/t7-/m1/s1.
What are the key properties of (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol?
(3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol has a molecular weight of 268.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol is sourced from PubChem (CID 40725285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).