5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole

C10H6BrClFNOS — CID 81496091

IUPAC5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole
SMILESFc1ccc(Br)c(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C10H6BrClFNOS/c11-8-2-1-6(13)3-9(8)15-5-7-4-14-10(12)16-7/h1-4H,5H2
InChIKeyMCKLHOGVWCXCGF-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.28
Rot. Bonds3

About 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole

5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole (PubChem CID 81496091) has the molecular formula C10H6BrClFNOS and a molecular weight of 322.59 g/mol. Its IUPAC name is 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole
PubChem CID81496091
Molecular FormulaC10H6BrClFNOS
Molecular Weight322.59 g/mol
Exact Mass320.90
IUPAC Name5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole
SMILESFc1ccc(Br)c(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C10H6BrClFNOS/c11-8-2-1-6(13)3-9(8)15-5-7-4-14-10(12)16-7/h1-4H,5H2
InChIKeyMCKLHOGVWCXCGF-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2,4-difluorophenoxy)methyl]-1,3-thiazole
CID 79764988
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
CID 116519513
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
CID 81495867
[5-[(2-bromo-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764417
2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile
CID 79764862
1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene
CID 58564425
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 80611882
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415
4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole
CID 81496538
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79765645
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole?
The IUPAC name of 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole (CID 81496091) is 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole?
The canonical SMILES for 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole is Fc1ccc(Br)c(OCc2cnc(Cl)s2)c1.
What is the InChIKey of 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole?
The InChIKey is MCKLHOGVWCXCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFNOS/c11-8-2-1-6(13)3-9(8)15-5-7-4-14-10(12)16-7/h1-4H,5H2.
What are the key properties of 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole?
5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole has a molecular weight of 322.59 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole is sourced from PubChem (CID 81496091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).