2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole

C11H9BrFNOS — CID 65169686

IUPAC2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Oc2ccc(F)cc2Br)sc1C
InChIInChI=1S/C11H9BrFNOS/c1-6-7(2)16-11(14-6)15-10-4-3-8(13)5-9(10)12/h3-5H,1-2H3
InChIKeyWZWXKQFWBHPXQH-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.45
Rot. Bonds2

About 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole

2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole (PubChem CID 65169686) has the molecular formula C11H9BrFNOS and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole
PubChem CID65169686
Molecular FormulaC11H9BrFNOS
Molecular Weight302.17 g/mol
Exact Mass300.96
IUPAC Name2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Oc2ccc(F)cc2Br)sc1C
InChIInChI=1S/C11H9BrFNOS/c1-6-7(2)16-11(14-6)15-10-4-3-8(13)5-9(10)12/h3-5H,1-2H3
InChIKeyWZWXKQFWBHPXQH-UHFFFAOYSA-N
XLogP4.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-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-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole (CID 65169686) is 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole is Cc1nc(Oc2ccc(F)cc2Br)sc1C.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole?
The InChIKey is WZWXKQFWBHPXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNOS/c1-6-7(2)16-11(14-6)15-10-4-3-8(13)5-9(10)12/h3-5H,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole?
2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole has a molecular weight of 302.17 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 65169686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).