5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole

C11H10FNOS — CID 70640680

IUPAC5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2cncs2)cc1F
InChIInChI=1S/C11H10FNOS/c1-8-2-3-9(4-11(8)12)14-6-10-5-13-7-15-10/h2-5,7H,6H2,1H3
InChIKeySXQOJRDHPPHUGX-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.17
Rot. Bonds3

About 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole

5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 70640680) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
PubChem CID70640680
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2cncs2)cc1F
InChIInChI=1S/C11H10FNOS/c1-8-2-3-9(4-11(8)12)14-6-10-5-13-7-15-10/h2-5,7H,6H2,1H3
InChIKeySXQOJRDHPPHUGX-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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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole (CID 70640680) is 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole is Cc1ccc(OCc2cncs2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is SXQOJRDHPPHUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c1-8-2-3-9(4-11(8)12)14-6-10-5-13-7-15-10/h2-5,7H,6H2,1H3.
What are the key properties of 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
5-[(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 5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 70640680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).