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

C12H7Br2N3O3S — CID 107088927

IUPAC5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1cccc(Br)c1Oc1nc2sccn2c1CBr
InChIInChI=1S/C12H7Br2N3O3S/c13-6-9-11(15-12-16(9)4-5-21-12)20-10-7(14)2-1-3-8(10)17(18)19/h1-5H,6H2
InChIKeyBNEIMKSXBYUQQK-UHFFFAOYSA-N
MW433.08 g/mol
LogP4.75
Rot. Bonds4

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

5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 107088927) has the molecular formula C12H7Br2N3O3S and a molecular weight of 433.08 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID107088927
Molecular FormulaC12H7Br2N3O3S
Molecular Weight433.08 g/mol
Exact Mass430.86
IUPAC Name5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1cccc(Br)c1Oc1nc2sccn2c1CBr
InChIInChI=1S/C12H7Br2N3O3S/c13-6-9-11(15-12-16(9)4-5-21-12)20-10-7(14)2-1-3-8(10)17(18)19/h1-5H,6H2
InChIKeyBNEIMKSXBYUQQK-UHFFFAOYSA-N
XLogP4.75
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.08
LogP ≤ 54.75
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-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107088041
[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-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086633
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086431
2-[6-(2-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63815749
5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087459
5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole
CID 18230478
6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 47012917
[6-(2,6-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476612

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole (CID 107088927) is 5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1cccc(Br)c1Oc1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is BNEIMKSXBYUQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3O3S/c13-6-9-11(15-12-16(9)4-5-21-12)20-10-7(14)2-1-3-8(10)17(18)19/h1-5H,6H2.
What are the key properties of 5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 433.08 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107088927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).