[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium

C28H22FNPS+ — CID 91757228

IUPAC[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium
SMILESFc1ccccc1-c1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C28H22FNPS/c29-27-19-11-10-18-26(27)28-30-22(21-32-28)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,21H,20H2/q+1
InChIKeyYASWYXHAGGCPIE-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.44
Rot. Bonds6

About [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium

[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium (PubChem CID 91757228) has the molecular formula C28H22FNPS+ and a molecular weight of 454.53 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium
PubChem CID91757228
Molecular FormulaC28H22FNPS+
Molecular Weight454.53 g/mol
Exact Mass454.12
IUPAC Name[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium
SMILESFc1ccccc1-c1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C28H22FNPS/c29-27-19-11-10-18-26(27)28-30-22(21-32-28)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,21H,20H2/q+1
InChIKeyYASWYXHAGGCPIE-UHFFFAOYSA-N
XLogP6.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium with MolForge

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

Launch Full Analysis

Related Compounds

triphenyl-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]methyl]phosphanium iodide
CID 11467637
triphenyl-[[2-(2-prop-1-en-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]methyl]phosphanium iodide
CID 11548963
2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 95472479
2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45369812
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 95352568
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888776
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole
CID 95316808
(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 95377650
1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544065
4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
CID 66054356

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium?
The IUPAC name of [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium (CID 91757228) is [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium.
What is the SMILES notation for [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium?
The canonical SMILES for [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium is Fc1ccccc1-c1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1.
What is the InChIKey of [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium?
The InChIKey is YASWYXHAGGCPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FNPS/c29-27-19-11-10-18-26(27)28-30-22(21-32-28)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,21H,20H2/q+1.
What are the key properties of [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium?
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium has a molecular weight of 454.53 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium is sourced from PubChem (CID 91757228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).