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

C11H10FNOS — CID 99836749

IUPAC2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2nccs2)cc1F
InChIInChI=1S/C11H10FNOS/c1-8-2-3-9(6-10(8)12)14-7-11-13-4-5-15-11/h2-6H,7H2,1H3
InChIKeyQSAACWIMVIZHIQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.17
Rot. Bonds3

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

2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 99836749) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
PubChem CID99836749
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2nccs2)cc1F
InChIInChI=1S/C11H10FNOS/c1-8-2-3-9(6-10(8)12)14-7-11-13-4-5-15-11/h2-6H,7H2,1H3
InChIKeyQSAACWIMVIZHIQ-UHFFFAOYSA-N
XLogP3.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole
CID 115318324
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole
CID 173195232
2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole
CID 91181321
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 107169110
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
2-(3-fluoro-4-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107170989
3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 107171304
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole (CID 99836749) is 2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole is Cc1ccc(OCc2nccs2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is QSAACWIMVIZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c1-8-2-3-9(6-10(8)12)14-7-11-13-4-5-15-11/h2-6H,7H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole has a molecular weight of 223.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 99836749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).