(3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone

C23H15F2NO3S2 — CID 54198431

IUPAC(3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
SMILESCS(=O)(=O)c1ccc(-c2nc(C(=O)c3cccc(F)c3)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H15F2NO3S2/c1-31(28,29)19-11-7-14(8-12-19)20-22(15-5-9-17(24)10-6-15)30-23(26-20)21(27)16-3-2-4-18(25)13-16/h2-13H,1H3
InChIKeyPNMOGRVAAMFYEP-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.39
Rot. Bonds5

About (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone

(3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone (PubChem CID 54198431) has the molecular formula C23H15F2NO3S2 and a molecular weight of 455.51 g/mol. Its IUPAC name is (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
PubChem CID54198431
Molecular FormulaC23H15F2NO3S2
Molecular Weight455.51 g/mol
Exact Mass455.05
IUPAC Name(3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
SMILESCS(=O)(=O)c1ccc(-c2nc(C(=O)c3cccc(F)c3)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H15F2NO3S2/c1-31(28,29)19-11-7-14(8-12-19)20-22(15-5-9-17(24)10-6-15)30-23(26-20)21(27)16-3-2-4-18(25)13-16/h2-13H,1H3
InChIKeyPNMOGRVAAMFYEP-UHFFFAOYSA-N
XLogP5.39
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone 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 (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone (CID 54198431) is (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone is CS(=O)(=O)c1ccc(-c2nc(C(=O)c3cccc(F)c3)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone?
The InChIKey is PNMOGRVAAMFYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO3S2/c1-31(28,29)19-11-7-14(8-12-19)20-22(15-5-9-17(24)10-6-15)30-23(26-20)21(27)16-3-2-4-18(25)13-16/h2-13H,1H3.
What are the key properties of (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone?
(3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone has a molecular weight of 455.51 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 54198431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).