4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide

C16H16FN5O4S2 — CID 55626403

IUPAC4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1c(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nc2sccn12
InChIInChI=1S/C16H16FN5O4S2/c17-11-1-3-13(4-2-11)28(25,26)19-12-5-7-20(8-6-12)14-15(22(23)24)21-9-10-27-16(21)18-14/h1-4,9-10,12,19H,5-8H2
InChIKeyJHEOMUWYQPQVTK-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.39
Rot. Bonds5

About 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide

4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide (PubChem CID 55626403) has the molecular formula C16H16FN5O4S2 and a molecular weight of 425.47 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide
PubChem CID55626403
Molecular FormulaC16H16FN5O4S2
Molecular Weight425.47 g/mol
Exact Mass425.06
IUPAC Name4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1c(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nc2sccn12
InChIInChI=1S/C16H16FN5O4S2/c17-11-1-3-13(4-2-11)28(25,26)19-12-5-7-20(8-6-12)14-15(22(23)24)21-9-10-27-16(21)18-14/h1-4,9-10,12,19H,5-8H2
InChIKeyJHEOMUWYQPQVTK-UHFFFAOYSA-N
XLogP2.39
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.39
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

5-Nitro-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 36341743
6-[4-(3,4-Difluorophenyl)sulfonylpiperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 37742034
N-(4-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
CID 52331478
6-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 55431866
6-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 55432032
6-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 55433766
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 55830095
N-[3-(3-fluorophenyl)propyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133295914
N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
CID 133330789
N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133411813
6-[4-[(3,4-Difluorophenyl)methylidene]piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 133480027
N-(1-benzylpiperidin-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16312248

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide (CID 55626403) is 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide is O=[N+]([O-])c1c(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nc2sccn12.
What is the InChIKey of 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is JHEOMUWYQPQVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O4S2/c17-11-1-3-13(4-2-11)28(25,26)19-12-5-7-20(8-6-12)14-15(22(23)24)21-9-10-27-16(21)18-14/h1-4,9-10,12,19H,5-8H2.
What are the key properties of 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 425.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 55626403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).