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

C17H11F4NO2S2 — CID 10294458

IUPAC5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H11F4NO2S2/c1-26(23,24)13-8-4-10(5-9-13)14-15(11-2-6-12(18)7-3-11)25-16(22-14)17(19,20)21/h2-9H,1H3
InChIKeyIPSWLWPSIVTXOW-UHFFFAOYSA-N
MW401.41 g/mol
LogP5.04
Rot. Bonds3

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

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 10294458) has the molecular formula C17H11F4NO2S2 and a molecular weight of 401.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID10294458
Molecular FormulaC17H11F4NO2S2
Molecular Weight401.41 g/mol
Exact Mass401.02
IUPAC Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H11F4NO2S2/c1-26(23,24)13-8-4-10(5-9-13)14-15(11-2-6-12(18)7-3-11)25-16(22-14)17(19,20)21/h2-9H,1H3
InChIKeyIPSWLWPSIVTXOW-UHFFFAOYSA-N
XLogP5.04
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole (CID 10294458) is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is IPSWLWPSIVTXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4NO2S2/c1-26(23,24)13-8-4-10(5-9-13)14-15(11-2-6-12(18)7-3-11)25-16(22-14)17(19,20)21/h2-9H,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 401.41 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 10294458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).