4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole

C9H4BrClFNOS — CID 79399607

IUPAC4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole
SMILESFc1ccc(Oc2nc(Br)cs2)cc1Cl
InChIInChI=1S/C9H4BrClFNOS/c10-8-4-15-9(13-8)14-5-1-2-7(12)6(11)3-5/h1-4H
InChIKeyQJMUFFLLUXCMOJ-UHFFFAOYSA-N
MW308.56 g/mol
LogP4.49
Rot. Bonds2

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

4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole (PubChem CID 79399607) has the molecular formula C9H4BrClFNOS and a molecular weight of 308.56 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole
PubChem CID79399607
Molecular FormulaC9H4BrClFNOS
Molecular Weight308.56 g/mol
Exact Mass306.89
IUPAC Name4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole
SMILESFc1ccc(Oc2nc(Br)cs2)cc1Cl
InChIInChI=1S/C9H4BrClFNOS/c10-8-4-15-9(13-8)14-5-1-2-7(12)6(11)3-5/h1-4H
InChIKeyQJMUFFLLUXCMOJ-UHFFFAOYSA-N
XLogP4.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole (CID 79399607) is 4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole is Fc1ccc(Oc2nc(Br)cs2)cc1Cl.
What is the InChIKey of 4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole?
The InChIKey is QJMUFFLLUXCMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClFNOS/c10-8-4-15-9(13-8)14-5-1-2-7(12)6(11)3-5/h1-4H.
What are the key properties of 4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole?
4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole has a molecular weight of 308.56 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-4-fluorophenoxy)-1,3-thiazole is sourced from PubChem (CID 79399607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).