6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole

C11H6FN3O2S — CID 54770030

IUPAC6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1cc(-c2cn3ccsc3n2)ccc1F
InChIInChI=1S/C11H6FN3O2S/c12-8-2-1-7(5-10(8)15(16)17)9-6-14-3-4-18-11(14)13-9/h1-6H
InChIKeyIXCJAOJASKEOMD-UHFFFAOYSA-N
MW263.25 g/mol
LogP3.11
Rot. Bonds2

About 6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole

6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 54770030) has the molecular formula C11H6FN3O2S and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID54770030
Molecular FormulaC11H6FN3O2S
Molecular Weight263.25 g/mol
Exact Mass263.02
IUPAC Name6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1cc(-c2cn3ccsc3n2)ccc1F
InChIInChI=1S/C11H6FN3O2S/c12-8-2-1-7(5-10(8)15(16)17)9-6-14-3-4-18-11(14)13-9/h1-6H
InChIKeyIXCJAOJASKEOMD-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-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 54770031
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
CID 3254217
6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 115281719
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
CID 40506170
4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine
CID 114059915
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-nitrobenzenesulfonamide
CID 121028684
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 3528662
1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 43936550
6-thiophen-3-ylimidazo[2,1-b][1,3]thiazole
CID 10352957
3-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-5-carboxylic acid
CID 84761093
5-(4-fluoro-3-nitrophenyl)-1,2,4-triazin-3-amine
CID 114059916
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-nitrophenyl]methanamine
CID 115331283

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole (CID 54770030) is 6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1cc(-c2cn3ccsc3n2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is IXCJAOJASKEOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2S/c12-8-2-1-7(5-10(8)15(16)17)9-6-14-3-4-18-11(14)13-9/h1-6H.
What are the key properties of 6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
6-(4-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-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 54770030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).