5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole

C12H12FNOS — CID 22101849

IUPAC5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole
SMILESCOC(c1ccccc1F)c1scnc1C
InChIInChI=1S/C12H12FNOS/c1-8-12(16-7-14-8)11(15-2)9-5-3-4-6-10(9)13/h3-7,11H,1-2H3
InChIKeyQBGOKPXQVYHOGN-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.33
Rot. Bonds3

About 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole

5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole (PubChem CID 22101849) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole
PubChem CID22101849
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole
SMILESCOC(c1ccccc1F)c1scnc1C
InChIInChI=1S/C12H12FNOS/c1-8-12(16-7-14-8)11(15-2)9-5-3-4-6-10(9)13/h3-7,11H,1-2H3
InChIKeyQBGOKPXQVYHOGN-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-Methyl-1,3-thiazol-5-yl)-phenylmethoxy]ethoxy]ethyl nitrate
CID 54670642
[2-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] nitrate
CID 54670645
[1-(4-Methyl-1,3-thiazol-5-yl)-2-phenylethyl] nitrate
CID 54670646
2-(4-Methyl-1,3-thiazol-5-yl)-2-phenylethanol
CID 54670925
2-[2-[(4-Methyl-1,3-thiazol-5-yl)-phenylmethoxy]ethoxy]ethanol
CID 60201765
1-(4-Methyl-5-thiazolyl)-1-phenylmethanol
CID 22101805
Methyl 1-(4-Methyl-5-thiazolyl)-1-phenylmethyl Ether
CID 22101837
(4-Fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101844
1-(4-Chlorophenyl)-1-(4-methyl-5-thiazolyl)methanol
CID 22101856
2-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 54670924
1-(4-Methyl-1,3-thiazol-5-yl)-2-phenylethanol
CID 54671016
2-(4-Fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 54671114

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole (CID 22101849) is 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole is COC(c1ccccc1F)c1scnc1C.
What is the InChIKey of 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole?
The InChIKey is QBGOKPXQVYHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-8-12(16-7-14-8)11(15-2)9-5-3-4-6-10(9)13/h3-7,11H,1-2H3.
What are the key properties of 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole?
5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole has a molecular weight of 237.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 22101849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).