2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole

C11H10FNOS — CID 117188220

IUPAC2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(COc2ccccc2F)s1
InChIInChI=1S/C11H10FNOS/c1-8-6-13-11(15-8)7-14-10-5-3-2-4-9(10)12/h2-6H,7H2,1H3
InChIKeyKQKVFSAZRYKKPT-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.17
Rot. Bonds3

About 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole

2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole (PubChem CID 117188220) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole
PubChem CID117188220
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(COc2ccccc2F)s1
InChIInChI=1S/C11H10FNOS/c1-8-6-13-11(15-8)7-14-10-5-3-2-4-9(10)12/h2-6H,7H2,1H3
InChIKeyKQKVFSAZRYKKPT-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 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole (CID 117188220) is 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole is Cc1cnc(COc2ccccc2F)s1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole?
The InChIKey is KQKVFSAZRYKKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c1-8-6-13-11(15-8)7-14-10-5-3-2-4-9(10)12/h2-6H,7H2,1H3.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole?
2-[(2-fluorophenoxy)methyl]-5-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-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 117188220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).