6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole

C12H8BrN3O3S — CID 103013389

IUPAC6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(Br)c(OCc2cn3ccsc3n2)c1
InChIInChI=1S/C12H8BrN3O3S/c13-10-2-1-9(16(17)18)5-11(10)19-7-8-6-15-3-4-20-12(15)14-8/h1-6H,7H2
InChIKeyAKSZLZBEHHLVCV-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.65
Rot. Bonds4

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

6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 103013389) has the molecular formula C12H8BrN3O3S and a molecular weight of 354.19 g/mol. Its IUPAC name is 6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID103013389
Molecular FormulaC12H8BrN3O3S
Molecular Weight354.19 g/mol
Exact Mass352.95
IUPAC Name6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(Br)c(OCc2cn3ccsc3n2)c1
InChIInChI=1S/C12H8BrN3O3S/c13-10-2-1-9(16(17)18)5-11(10)19-7-8-6-15-3-4-20-12(15)14-8/h1-6H,7H2
InChIKeyAKSZLZBEHHLVCV-UHFFFAOYSA-N
XLogP3.65
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol
CID 115332158
[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331341
6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 114672715
4-[(2-bromo-5-nitrophenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 102975294
1-[5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanone
CID 78942887
[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 107741325
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
1-bromo-2-[(4-ethylphenyl)methoxy]-4-nitrobenzene
CID 103013501
3-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331937
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one
CID 78942904

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole (CID 103013389) is 6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1ccc(Br)c(OCc2cn3ccsc3n2)c1.
What is the InChIKey of 6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is AKSZLZBEHHLVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3S/c13-10-2-1-9(16(17)18)5-11(10)19-7-8-6-15-3-4-20-12(15)14-8/h1-6H,7H2.
What are the key properties of 6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 354.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 103013389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).