4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole

C15H17F2NO3S — CID 75372528

IUPAC4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
SMILESCCOC(C)c1nc(COc2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H17F2NO3S/c1-3-19-10(2)14-18-11(9-22-14)8-20-12-6-4-5-7-13(12)21-15(16)17/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyMTIFEGGMWLTFHU-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.42
Rot. Bonds8

About 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole

4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole (PubChem CID 75372528) has the molecular formula C15H17F2NO3S and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
PubChem CID75372528
Molecular FormulaC15H17F2NO3S
Molecular Weight329.37 g/mol
Exact Mass329.09
IUPAC Name4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
SMILESCCOC(C)c1nc(COc2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H17F2NO3S/c1-3-19-10(2)14-18-11(9-22-14)8-20-12-6-4-5-7-13(12)21-15(16)17/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyMTIFEGGMWLTFHU-UHFFFAOYSA-N
XLogP4.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole?
The IUPAC name of 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole (CID 75372528) is 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole.
What is the SMILES notation for 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole?
The canonical SMILES for 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole is CCOC(C)c1nc(COc2ccccc2OC(F)F)cs1.
What is the InChIKey of 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole?
The InChIKey is MTIFEGGMWLTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3S/c1-3-19-10(2)14-18-11(9-22-14)8-20-12-6-4-5-7-13(12)21-15(16)17/h4-7,9-10,15H,3,8H2,1-2H3.
What are the key properties of 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole?
4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole has a molecular weight of 329.37 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole is sourced from PubChem (CID 75372528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).