5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole

C10H5BrClFN2O3S — CID 103483194

IUPAC5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1OCc1cnc(Cl)s1
InChIInChI=1S/C10H5BrClFN2O3S/c11-6-1-8(15(16)17)9(2-7(6)13)18-4-5-3-14-10(12)19-5/h1-3H,4H2
InChIKeyDURZXPJTKGZEMB-UHFFFAOYSA-N
MW367.58 g/mol
LogP4.19
Rot. Bonds4

About 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole

5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole (PubChem CID 103483194) has the molecular formula C10H5BrClFN2O3S and a molecular weight of 367.58 g/mol. Its IUPAC name is 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole
PubChem CID103483194
Molecular FormulaC10H5BrClFN2O3S
Molecular Weight367.58 g/mol
Exact Mass365.89
IUPAC Name5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1OCc1cnc(Cl)s1
InChIInChI=1S/C10H5BrClFN2O3S/c11-6-1-8(15(16)17)9(2-7(6)13)18-4-5-3-14-10(12)19-5/h1-3H,4H2
InChIKeyDURZXPJTKGZEMB-UHFFFAOYSA-N
XLogP4.19
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-5-[(2,4-dinitrophenoxy)methyl]-1,3-thiazole
CID 3658807
2-Chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole
CID 1484584
2-Chloro-5-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3-thiazole
CID 1487542
5-[(5-Fluoro-2-nitrophenoxy)methyl]-2-methyl-1,3-thiazole
CID 78968779
5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79760663
5-[(2-Bromo-4-fluoro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole
CID 79763980
2-Chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole
CID 79764111
2-Chloro-5-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole
CID 79764229
2-Chloro-5-[(3-fluoro-4-nitrophenoxy)methyl]-1,3-thiazole
CID 79764368
2-Chloro-5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole
CID 79765515
[5-[(2-Bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765566
2-Chloro-5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazole
CID 79765780

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole?
The IUPAC name of 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole (CID 103483194) is 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole?
The canonical SMILES for 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole is O=[N+]([O-])c1cc(Br)c(F)cc1OCc1cnc(Cl)s1.
What is the InChIKey of 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole?
The InChIKey is DURZXPJTKGZEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClFN2O3S/c11-6-1-8(15(16)17)9(2-7(6)13)18-4-5-3-14-10(12)19-5/h1-3H,4H2.
What are the key properties of 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole?
5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole has a molecular weight of 367.58 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole is sourced from PubChem (CID 103483194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).