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

C11H9ClFNOS — CID 82705988

IUPAC4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C11H9ClFNOS/c1-7-14-8(6-16-7)5-15-9-2-3-10(12)11(13)4-9/h2-4,6H,5H2,1H3
InChIKeyIEOFXOYWFCGRHK-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.82
Rot. Bonds3

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

4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole (PubChem CID 82705988) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole
PubChem CID82705988
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C11H9ClFNOS/c1-7-14-8(6-16-7)5-15-9-2-3-10(12)11(13)4-9/h2-4,6H,5H2,1H3
InChIKeyIEOFXOYWFCGRHK-UHFFFAOYSA-N
XLogP3.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole (CID 82705988) is 4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole is Cc1nc(COc2ccc(Cl)c(F)c2)cs1.
What is the InChIKey of 4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole?
The InChIKey is IEOFXOYWFCGRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c1-7-14-8(6-16-7)5-15-9-2-3-10(12)11(13)4-9/h2-4,6H,5H2,1H3.
What are the key properties of 4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole?
4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole has a molecular weight of 257.72 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenoxy)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 82705988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).