4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole

C24H20FNO2S2 — CID 22912151

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(CCc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FNO2S2/c1-30(27,28)21-14-10-19(11-15-21)24-23(18-8-12-20(25)13-9-18)26-22(29-24)16-7-17-5-3-2-4-6-17/h2-6,8-15H,7,16H2,1H3
InChIKeyODYNMIGMQVXSMY-UHFFFAOYSA-N
MW437.56 g/mol
LogP5.80
Rot. Bonds6

About 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole (PubChem CID 22912151) has the molecular formula C24H20FNO2S2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole
PubChem CID22912151
Molecular FormulaC24H20FNO2S2
Molecular Weight437.56 g/mol
Exact Mass437.09
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(CCc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FNO2S2/c1-30(27,28)21-14-10-19(11-15-21)24-23(18-8-12-20(25)13-9-18)26-22(29-24)16-7-17-5-3-2-4-6-17/h2-6,8-15H,7,16H2,1H3
InChIKeyODYNMIGMQVXSMY-UHFFFAOYSA-N
XLogP5.80
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.56
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole (CID 22912151) is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2sc(CCc3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole?
The InChIKey is ODYNMIGMQVXSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO2S2/c1-30(27,28)21-14-10-19(11-15-21)24-23(18-8-12-20(25)13-9-18)26-22(29-24)16-7-17-5-3-2-4-6-17/h2-6,8-15H,7,16H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole?
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole has a molecular weight of 437.56 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-thiazole is sourced from PubChem (CID 22912151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).