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

C12H15N5O3S — CID 133355900

IUPAC2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1
InChIInChI=1S/C12H15N5O3S/c13-9(18)6-8-2-1-3-15(7-8)10-11(17(19)20)16-4-5-21-12(16)14-10/h4-5,8H,1-3,6-7H2,(H2,13,18)
InChIKeyDRCNGVYYNOBHPH-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.40
Rot. Bonds4

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

2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide (PubChem CID 133355900) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide
PubChem CID133355900
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1
InChIInChI=1S/C12H15N5O3S/c13-9(18)6-8-2-1-3-15(7-8)10-11(17(19)20)16-4-5-21-12(16)14-10/h4-5,8H,1-3,6-7H2,(H2,13,18)
InChIKeyDRCNGVYYNOBHPH-UHFFFAOYSA-N
XLogP1.40
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.40
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

(3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol
CID 40725285
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
CID 115657955
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxamide
CID 40724852
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
N-[[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]methyl]ethanamine
CID 80546147
cyclohexyl-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methanone
CID 99251972
ethyl 1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxylate
CID 51245763
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
CID 80702476
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxylic acid
CID 63124084
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)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide (CID 133355900) is 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide is NC(=O)CC1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1.
What is the InChIKey of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide?
The InChIKey is DRCNGVYYNOBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c13-9(18)6-8-2-1-3-15(7-8)10-11(17(19)20)16-4-5-21-12(16)14-10/h4-5,8H,1-3,6-7H2,(H2,13,18).
What are the key properties of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide?
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide has a molecular weight of 309.35 g/mol, XLogP of 1.40, 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)piperidin-3-yl]acetamide is sourced from PubChem (CID 133355900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).