4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole

C9H4BrF2NOS — CID 79399592

IUPAC4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole
SMILESFc1ccc(Oc2nc(Br)cs2)c(F)c1
InChIInChI=1S/C9H4BrF2NOS/c10-8-4-15-9(13-8)14-7-2-1-5(11)3-6(7)12/h1-4H
InChIKeyNELIYUVPCKPPHD-UHFFFAOYSA-N
MW292.10 g/mol
LogP3.98
Rot. Bonds2

About 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole

4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole (PubChem CID 79399592) has the molecular formula C9H4BrF2NOS and a molecular weight of 292.10 g/mol. Its IUPAC name is 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole
PubChem CID79399592
Molecular FormulaC9H4BrF2NOS
Molecular Weight292.10 g/mol
Exact Mass290.92
IUPAC Name4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole
SMILESFc1ccc(Oc2nc(Br)cs2)c(F)c1
InChIInChI=1S/C9H4BrF2NOS/c10-8-4-15-9(13-8)14-7-2-1-5(11)3-6(7)12/h1-4H
InChIKeyNELIYUVPCKPPHD-UHFFFAOYSA-N
XLogP3.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(2,4-difluorophenoxy)-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 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole (CID 79399592) is 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole is Fc1ccc(Oc2nc(Br)cs2)c(F)c1.
What is the InChIKey of 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole?
The InChIKey is NELIYUVPCKPPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2NOS/c10-8-4-15-9(13-8)14-7-2-1-5(11)3-6(7)12/h1-4H.
What are the key properties of 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole?
4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole has a molecular weight of 292.10 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole is sourced from PubChem (CID 79399592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).