[2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone

C24H18FNOS — CID 164668620

IUPAC[2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CC(c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C24H18FNOS/c25-20-12-10-17(11-13-20)22(24-26-14-15-28-24)16-19-8-4-5-9-21(19)23(27)18-6-2-1-3-7-18/h1-15,22H,16H2
InChIKeyOSJCRNDSAUVTEC-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.89
Rot. Bonds6

About [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone

[2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone (PubChem CID 164668620) has the molecular formula C24H18FNOS and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone
PubChem CID164668620
Molecular FormulaC24H18FNOS
Molecular Weight387.48 g/mol
Exact Mass387.11
IUPAC Name[2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CC(c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C24H18FNOS/c25-20-12-10-17(11-13-20)22(24-26-14-15-28-24)16-19-8-4-5-9-21(19)23(27)18-6-2-1-3-7-18/h1-15,22H,16H2
InChIKeyOSJCRNDSAUVTEC-UHFFFAOYSA-N
XLogP5.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone (CID 164668620) is [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1CC(c1ccc(F)cc1)c1nccs1.
What is the InChIKey of [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone?
The InChIKey is OSJCRNDSAUVTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNOS/c25-20-12-10-17(11-13-20)22(24-26-14-15-28-24)16-19-8-4-5-9-21(19)23(27)18-6-2-1-3-7-18/h1-15,22H,16H2.
What are the key properties of [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone?
[2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone has a molecular weight of 387.48 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]phenyl]-phenylmethanone is sourced from PubChem (CID 164668620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).