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

C11H9F2NOS — CID 89438680

IUPAC4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C11H9F2NOS/c1-7-14-9(6-16-7)5-15-11-3-2-8(12)4-10(11)13/h2-4,6H,5H2,1H3
InChIKeyOWASWDYYNRDMLV-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.31
Rot. Bonds3

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

4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole (PubChem CID 89438680) has the molecular formula C11H9F2NOS and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
PubChem CID89438680
Molecular FormulaC11H9F2NOS
Molecular Weight241.26 g/mol
Exact Mass241.04
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C11H9F2NOS/c1-7-14-9(6-16-7)5-15-11-3-2-8(12)4-10(11)13/h2-4,6H,5H2,1H3
InChIKeyOWASWDYYNRDMLV-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole (CID 89438680) is 4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole is Cc1nc(COc2ccc(F)cc2F)cs1.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole?
The InChIKey is OWASWDYYNRDMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NOS/c1-7-14-9(6-16-7)5-15-11-3-2-8(12)4-10(11)13/h2-4,6H,5H2,1H3.
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole?
4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole has a molecular weight of 241.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 89438680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).