6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole

C11H6FN3O2S — CID 54770031

IUPAC6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1cccc(-c2cn3ccsc3n2)c1F
InChIInChI=1S/C11H6FN3O2S/c12-10-7(2-1-3-9(10)15(16)17)8-6-14-4-5-18-11(14)13-8/h1-6H
InChIKeyBARJFXHDFXHHMY-UHFFFAOYSA-N
MW263.25 g/mol
LogP3.11
Rot. Bonds2

About 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole

6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 54770031) has the molecular formula C11H6FN3O2S and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID54770031
Molecular FormulaC11H6FN3O2S
Molecular Weight263.25 g/mol
Exact Mass263.02
IUPAC Name6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1cccc(-c2cn3ccsc3n2)c1F
InChIInChI=1S/C11H6FN3O2S/c12-10-7(2-1-3-9(10)15(16)17)8-6-14-4-5-18-11(14)13-8/h1-6H
InChIKeyBARJFXHDFXHHMY-UHFFFAOYSA-N
XLogP3.11
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 54770030
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 3528662
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
CID 3254217
6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 115403259
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
CID 40506170
6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 115281719
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-nitrophenyl)acetamide
CID 134027757
2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 90625740
4-(2-fluoro-3-nitrophenyl)-2-methyltriazole
CID 175500139
1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-2-sulfonamide
CID 90626781
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-nitrobenzenesulfonamide
CID 121028684

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole (CID 54770031) is 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1cccc(-c2cn3ccsc3n2)c1F.
What is the InChIKey of 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is BARJFXHDFXHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2S/c12-10-7(2-1-3-9(10)15(16)17)8-6-14-4-5-18-11(14)13-8/h1-6H.
What are the key properties of 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 263.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 54770031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).