4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole

C11H9BrFNOS — CID 170746891

IUPAC4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2cscn2)c(Br)c1F
InChIInChI=1S/C11H9BrFNOS/c1-7-2-3-9(10(12)11(7)13)15-4-8-5-16-6-14-8/h2-3,5-6H,4H2,1H3
InChIKeyMEEKMFOLKNYHOX-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.93
Rot. Bonds3

About 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole

4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 170746891) has the molecular formula C11H9BrFNOS and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
PubChem CID170746891
Molecular FormulaC11H9BrFNOS
Molecular Weight302.17 g/mol
Exact Mass300.96
IUPAC Name4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2cscn2)c(Br)c1F
InChIInChI=1S/C11H9BrFNOS/c1-7-2-3-9(10(12)11(7)13)15-4-8-5-16-6-14-8/h2-3,5-6H,4H2,1H3
InChIKeyMEEKMFOLKNYHOX-UHFFFAOYSA-N
XLogP3.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole (CID 170746891) is 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole is Cc1ccc(OCc2cscn2)c(Br)c1F.
What is the InChIKey of 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is MEEKMFOLKNYHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNOS/c1-7-2-3-9(10(12)11(7)13)15-4-8-5-16-6-14-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole has a molecular weight of 302.17 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 170746891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).