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

C10H4BrCl2FN2O3S — CID 103483415

IUPAC2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1Oc1nc(Cl)c(CCl)s1
InChIInChI=1S/C10H4BrCl2FN2O3S/c11-4-1-6(16(17)18)7(2-5(4)14)19-10-15-9(13)8(3-12)20-10/h1-2H,3H2
InChIKeyMYTMKUFSVVXZPH-UHFFFAOYSA-N
MW402.03 g/mol
LogP5.14
Rot. Bonds4

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

2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole (PubChem CID 103483415) has the molecular formula C10H4BrCl2FN2O3S and a molecular weight of 402.03 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
PubChem CID103483415
Molecular FormulaC10H4BrCl2FN2O3S
Molecular Weight402.03 g/mol
Exact Mass399.85
IUPAC Name2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1Oc1nc(Cl)c(CCl)s1
InChIInChI=1S/C10H4BrCl2FN2O3S/c11-4-1-6(16(17)18)7(2-5(4)14)19-10-15-9(13)8(3-12)20-10/h1-2H,3H2
InChIKeyMYTMKUFSVVXZPH-UHFFFAOYSA-N
XLogP5.14
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.03
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-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

Related Compounds

4-chloro-5-(chloromethyl)-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole
CID 80687781
2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
CID 103483229
2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-(chloromethyl)-3-methylpyridine
CID 103483413
4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine
CID 103483204
1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
CID 118852889
[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol
CID 103483384
4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole
CID 80687597
4-(4-bromo-5-fluoro-2-nitrophenoxy)aniline
CID 66110501
[4-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869582
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
CID 103483928
4-chloro-2-(5-fluoro-2-nitrophenoxy)-1,3-thiazole-5-carbaldehyde
CID 80688375
2-(4-bromo-2-nitrophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde
CID 80688285

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole (CID 103483415) is 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole is O=[N+]([O-])c1cc(Br)c(F)cc1Oc1nc(Cl)c(CCl)s1.
What is the InChIKey of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
The InChIKey is MYTMKUFSVVXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2FN2O3S/c11-4-1-6(16(17)18)7(2-5(4)14)19-10-15-9(13)8(3-12)20-10/h1-2H,3H2.
What are the key properties of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole has a molecular weight of 402.03 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole is sourced from PubChem (CID 103483415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).