5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole

C12H7BrFN3O3S — CID 107088041

IUPAC5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(F)cc1Oc1nc2sccn2c1CBr
InChIInChI=1S/C12H7BrFN3O3S/c13-6-9-11(15-12-16(9)3-4-21-12)20-10-5-7(14)1-2-8(10)17(18)19/h1-5H,6H2
InChIKeyDKBVECVGPYAZCB-UHFFFAOYSA-N
MW372.18 g/mol
LogP4.13
Rot. Bonds4

About 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole

5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 107088041) has the molecular formula C12H7BrFN3O3S and a molecular weight of 372.18 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID107088041
Molecular FormulaC12H7BrFN3O3S
Molecular Weight372.18 g/mol
Exact Mass370.94
IUPAC Name5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(F)cc1Oc1nc2sccn2c1CBr
InChIInChI=1S/C12H7BrFN3O3S/c13-6-9-11(15-12-16(9)3-4-21-12)20-10-5-7(14)1-2-8(10)17(18)19/h1-5H,6H2
InChIKeyDKBVECVGPYAZCB-UHFFFAOYSA-N
XLogP4.13
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-6-(2-fluoro-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107089176
5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107088927
[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 65429632
[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 65429809
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086431
5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086633
5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476148
5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087459
5-(chloromethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476068
[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 116689579
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63037655

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole (CID 107088041) is 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1ccc(F)cc1Oc1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is DKBVECVGPYAZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O3S/c13-6-9-11(15-12-16(9)3-4-21-12)20-10-5-7(14)1-2-8(10)17(18)19/h1-5H,6H2.
What are the key properties of 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 372.18 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107088041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).