2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole

C11H8BrClFNS — CID 116885355

IUPAC2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(Br)ccc2F)sc1CCl
InChIInChI=1S/C11H8BrClFNS/c1-6-10(5-13)16-11(15-6)8-4-7(12)2-3-9(8)14/h2-4H,5H2,1H3
InChIKeyODVQAGDBPQWQLK-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.76
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole

2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole (PubChem CID 116885355) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole
PubChem CID116885355
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC Name2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(Br)ccc2F)sc1CCl
InChIInChI=1S/C11H8BrClFNS/c1-6-10(5-13)16-11(15-6)8-4-7(12)2-3-9(8)14/h2-4H,5H2,1H3
InChIKeyODVQAGDBPQWQLK-UHFFFAOYSA-N
XLogP4.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole (CID 116885355) is 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole is Cc1nc(-c2cc(Br)ccc2F)sc1CCl.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole?
The InChIKey is ODVQAGDBPQWQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c1-6-10(5-13)16-11(15-6)8-4-7(12)2-3-9(8)14/h2-4H,5H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole?
2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole has a molecular weight of 320.61 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 116885355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).