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

C12H12FNOS — CID 23377292

IUPAC4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2ccc(C)c(F)c2)cs1
InChIInChI=1S/C12H12FNOS/c1-8-3-4-11(5-12(8)13)15-6-10-7-16-9(2)14-10/h3-5,7H,6H2,1-2H3
InChIKeyGSGNUHCDEGZDOX-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.48
Rot. Bonds3

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

4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole (PubChem CID 23377292) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole
PubChem CID23377292
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2ccc(C)c(F)c2)cs1
InChIInChI=1S/C12H12FNOS/c1-8-3-4-11(5-12(8)13)15-6-10-7-16-9(2)14-10/h3-5,7H,6H2,1-2H3
InChIKeyGSGNUHCDEGZDOX-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole (CID 23377292) is 4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole is Cc1nc(COc2ccc(C)c(F)c2)cs1.
What is the InChIKey of 4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole?
The InChIKey is GSGNUHCDEGZDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-8-3-4-11(5-12(8)13)15-6-10-7-16-9(2)14-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole?
4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole has a molecular weight of 237.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 23377292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).