[4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone

C24H18FNO3S — CID 16624721

IUPAC[4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCc2csc(COc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H18FNO3S/c25-19-8-12-22(13-9-19)29-15-23-26-20(16-30-23)14-28-21-10-6-18(7-11-21)24(27)17-4-2-1-3-5-17/h1-13,16H,14-15H2
InChIKeyOPLZVNCADJRDKC-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.67
Rot. Bonds8

About [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone

[4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone (PubChem CID 16624721) has the molecular formula C24H18FNO3S and a molecular weight of 419.48 g/mol. Its IUPAC name is [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone
PubChem CID16624721
Molecular FormulaC24H18FNO3S
Molecular Weight419.48 g/mol
Exact Mass419.10
IUPAC Name[4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCc2csc(COc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H18FNO3S/c25-19-8-12-22(13-9-19)29-15-23-26-20(16-30-23)14-28-21-10-6-18(7-11-21)24(27)17-4-2-1-3-5-17/h1-13,16H,14-15H2
InChIKeyOPLZVNCADJRDKC-UHFFFAOYSA-N
XLogP5.67
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone (CID 16624721) is [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCc2csc(COc3ccc(F)cc3)n2)cc1.
What is the InChIKey of [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone?
The InChIKey is OPLZVNCADJRDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3S/c25-19-8-12-22(13-9-19)29-15-23-26-20(16-30-23)14-28-21-10-6-18(7-11-21)24(27)17-4-2-1-3-5-17/h1-13,16H,14-15H2.
What are the key properties of [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone?
[4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone has a molecular weight of 419.48 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 16624721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).