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

C10H5BrCl2FNOS — CID 80688428

IUPAC2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
SMILESFc1cc(Br)ccc1Oc1nc(Cl)c(CCl)s1
InChIInChI=1S/C10H5BrCl2FNOS/c11-5-1-2-7(6(14)3-5)16-10-15-9(13)8(4-12)17-10/h1-3H,4H2
InChIKeyXKPVYEXNCUEOJW-UHFFFAOYSA-N
MW357.03 g/mol
LogP5.23
Rot. Bonds3

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

2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole (PubChem CID 80688428) has the molecular formula C10H5BrCl2FNOS and a molecular weight of 357.03 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
PubChem CID80688428
Molecular FormulaC10H5BrCl2FNOS
Molecular Weight357.03 g/mol
Exact Mass354.86
IUPAC Name2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
SMILESFc1cc(Br)ccc1Oc1nc(Cl)c(CCl)s1
InChIInChI=1S/C10H5BrCl2FNOS/c11-5-1-2-7(6(14)3-5)16-10-15-9(13)8(4-12)17-10/h1-3H,4H2
InChIKeyXKPVYEXNCUEOJW-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.03
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole
CID 170408959
Methyl 2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 54915128
Methyl 2-(4-bromo-2-fluorophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 54915720
2-(2-Bromo-4-fluorophenoxy)-4,5-dimethyl-1,3-thiazole
CID 65169686
2-(4-Bromo-3-fluorophenoxy)-4,5-dimethyl-1,3-thiazole
CID 65202516
Methyl 2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 65203448
4-Chloro-5-chloromethyl-2-(2,4-difluorophenoxy)thiazole
CID 73012762
4-Chloro-5-chloromethyl-2-(4-fluorophenoxy)thiazole
CID 73012764
4-Chloro-5-(chloromethyl)-2-(2-fluorophenoxy)-1,3-thiazole
CID 79016699
4-Chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole
CID 79016781
4-Chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole
CID 79016862
4-Chloro-2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-thiazole
CID 80687148

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole (CID 80688428) is 2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole is Fc1cc(Br)ccc1Oc1nc(Cl)c(CCl)s1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
The InChIKey is XKPVYEXNCUEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2FNOS/c11-5-1-2-7(6(14)3-5)16-10-15-9(13)8(4-12)17-10/h1-3H,4H2.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole has a molecular weight of 357.03 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole is sourced from PubChem (CID 80688428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).