2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole

C24H16F3NO2S2 — CID 6314543

IUPAC2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole
SMILESO=S(=O)(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H16F3NO2S2/c25-24(26,27)20-10-6-17(7-11-20)14-15-32(29,30)21-12-8-18(9-13-21)22-16-31-23(28-22)19-4-2-1-3-5-19/h1-16H/b15-14+
InChIKeyRPNMXILYMWZFIB-CCEZHUSRSA-N
MW471.53 g/mol
LogP6.94
Rot. Bonds5

About 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole

2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole (PubChem CID 6314543) has the molecular formula C24H16F3NO2S2 and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole
PubChem CID6314543
Molecular FormulaC24H16F3NO2S2
Molecular Weight471.53 g/mol
Exact Mass471.06
IUPAC Name2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole
SMILESO=S(=O)(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H16F3NO2S2/c25-24(26,27)20-10-6-17(7-11-20)14-15-32(29,30)21-12-8-18(9-13-21)22-16-31-23(28-22)19-4-2-1-3-5-19/h1-16H/b15-14+
InChIKeyRPNMXILYMWZFIB-CCEZHUSRSA-N
XLogP6.94
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole (CID 6314543) is 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole is O=S(=O)(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole?
The InChIKey is RPNMXILYMWZFIB-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H16F3NO2S2/c25-24(26,27)20-10-6-17(7-11-20)14-15-32(29,30)21-12-8-18(9-13-21)22-16-31-23(28-22)19-4-2-1-3-5-19/h1-16H/b15-14+.
What are the key properties of 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole?
2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole has a molecular weight of 471.53 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylphenyl]-1,3-thiazole is sourced from PubChem (CID 6314543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).