2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole

C23H17F2NO3S2 — CID 22912110

IUPAC2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1sc(COc2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2NO3S2/c1-31(27,28)20-5-3-2-4-19(20)23-22(15-6-8-16(24)9-7-15)26-21(30-23)14-29-18-12-10-17(25)11-13-18/h2-13H,14H2,1H3
InChIKeyFCQCTCKSSXFVFX-UHFFFAOYSA-N
MW457.52 g/mol
LogP5.74
Rot. Bonds6

About 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole

2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22912110) has the molecular formula C23H17F2NO3S2 and a molecular weight of 457.52 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22912110
Molecular FormulaC23H17F2NO3S2
Molecular Weight457.52 g/mol
Exact Mass457.06
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1sc(COc2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2NO3S2/c1-31(27,28)20-5-3-2-4-19(20)23-22(15-6-8-16(24)9-7-15)26-21(30-23)14-29-18-12-10-17(25)11-13-18/h2-13H,14H2,1H3
InChIKeyFCQCTCKSSXFVFX-UHFFFAOYSA-N
XLogP5.74
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole 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 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole (CID 22912110) is 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccccc1-c1sc(COc2ccc(F)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is FCQCTCKSSXFVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO3S2/c1-31(27,28)20-5-3-2-4-19(20)23-22(15-6-8-16(24)9-7-15)26-21(30-23)14-29-18-12-10-17(25)11-13-18/h2-13H,14H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 457.52 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22912110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).