1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide

C12H10BrN3O2S2 — CID 83084144

IUPAC1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C12H10BrN3O2S2/c13-8-20(17,18)15-10-3-1-9(2-4-10)11-7-16-5-6-19-12(16)14-11/h1-7,15H,8H2
InChIKeyZSNHVDDKWCMMPU-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.16
Rot. Bonds4

About 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide

1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide (PubChem CID 83084144) has the molecular formula C12H10BrN3O2S2 and a molecular weight of 372.27 g/mol. Its IUPAC name is 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide
PubChem CID83084144
Molecular FormulaC12H10BrN3O2S2
Molecular Weight372.27 g/mol
Exact Mass370.94
IUPAC Name1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C12H10BrN3O2S2/c13-8-20(17,18)15-10-3-1-9(2-4-10)11-7-16-5-6-19-12(16)14-11/h1-7,15H,8H2
InChIKeyZSNHVDDKWCMMPU-UHFFFAOYSA-N
XLogP3.16
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 41427613
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide
CID 40696843
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7488298
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-nitrobenzenesulfonamide
CID 121028684
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
2-(2,6-dichlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 4674024
1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol
CID 168639157
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
6-[3-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole
CID 7488202
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide
CID 90518300

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide (CID 83084144) is 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide is O=S(=O)(CBr)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide?
The InChIKey is ZSNHVDDKWCMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2S2/c13-8-20(17,18)15-10-3-1-9(2-4-10)11-7-16-5-6-19-12(16)14-11/h1-7,15H,8H2.
What are the key properties of 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide?
1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide has a molecular weight of 372.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide is sourced from PubChem (CID 83084144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).