2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide

C17H18N6O3S — CID 31257866

IUPAC2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)Nc1ccccc1
InChIInChI=1S/C17H18N6O3S/c24-14(18-13-4-2-1-3-5-13)12-20-6-8-21(9-7-20)15-16(23(25)26)22-10-11-27-17(22)19-15/h1-5,10-11H,6-9,12H2,(H,18,24)
InChIKeyZHETVXWQKXCULQ-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.06
Rot. Bonds5

About 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide

2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 31257866) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide
PubChem CID31257866
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)Nc1ccccc1
InChIInChI=1S/C17H18N6O3S/c24-14(18-13-4-2-1-3-5-13)12-20-6-8-21(9-7-20)15-16(23(25)26)22-10-11-27-17(22)19-15/h1-5,10-11H,6-9,12H2,(H,18,24)
InChIKeyZHETVXWQKXCULQ-UHFFFAOYSA-N
XLogP2.06
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

[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
2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide
CID 133408645
N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide
CID 30041112
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-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542989
2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
CID 22198313
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
CID 133370977
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide
CID 143492165

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide (CID 31257866) is 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is ZHETVXWQKXCULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c24-14(18-13-4-2-1-3-5-13)12-20-6-8-21(9-7-20)15-16(23(25)26)22-10-11-27-17(22)19-15/h1-5,10-11H,6-9,12H2,(H,18,24).
What are the key properties of 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 386.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31257866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).