5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole

C12H6BrCl3N2OS — CID 107086431

IUPAC5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
SMILESClc1cc(Cl)c(Oc2nc3sccn3c2CBr)cc1Cl
InChIInChI=1S/C12H6BrCl3N2OS/c13-5-9-11(17-12-18(9)1-2-20-12)19-10-4-7(15)6(14)3-8(10)16/h1-4H,5H2
InChIKeyNCSSDHTXPCJDTQ-UHFFFAOYSA-N
MW412.52 g/mol
LogP6.04
Rot. Bonds3

About 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole

5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 107086431) has the molecular formula C12H6BrCl3N2OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID107086431
Molecular FormulaC12H6BrCl3N2OS
Molecular Weight412.52 g/mol
Exact Mass409.84
IUPAC Name5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
SMILESClc1cc(Cl)c(Oc2nc3sccn3c2CBr)cc1Cl
InChIInChI=1S/C12H6BrCl3N2OS/c13-5-9-11(17-12-18(9)1-2-20-12)19-10-4-7(15)6(14)3-8(10)16/h1-4H,5H2
InChIKeyNCSSDHTXPCJDTQ-UHFFFAOYSA-N
XLogP6.04
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476068
1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 107659553
5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087459
N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476755
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107658896
[6-(2,3-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476053
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476745
[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 116689579
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63803299
1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476617
6-(2-chloro-5-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475907

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole (CID 107086431) is 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole is Clc1cc(Cl)c(Oc2nc3sccn3c2CBr)cc1Cl.
What is the InChIKey of 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is NCSSDHTXPCJDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl3N2OS/c13-5-9-11(17-12-18(9)1-2-20-12)19-10-4-7(15)6(14)3-8(10)16/h1-4H,5H2.
What are the key properties of 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 412.52 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107086431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).