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

C21H15FN2O2S2 — CID 22912123

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3ccncc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FN2O2S2/c1-28(25,26)18-8-4-15(5-9-18)20-19(14-2-6-17(22)7-3-14)24-21(27-20)16-10-12-23-13-11-16/h2-13H,1H3
InChIKeyDKAFNEJRHQVNSH-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.08
Rot. Bonds4

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

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 22912123) has the molecular formula C21H15FN2O2S2 and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID22912123
Molecular FormulaC21H15FN2O2S2
Molecular Weight410.50 g/mol
Exact Mass410.06
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3ccncc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FN2O2S2/c1-28(25,26)18-8-4-15(5-9-18)20-19(14-2-6-17(22)7-3-14)24-21(27-20)16-10-12-23-13-11-16/h2-13H,1H3
InChIKeyDKAFNEJRHQVNSH-UHFFFAOYSA-N
XLogP5.08
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole (CID 22912123) is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole is CS(=O)(=O)c1ccc(-c2sc(-c3ccncc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is DKAFNEJRHQVNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S2/c1-28(25,26)18-8-4-15(5-9-18)20-19(14-2-6-17(22)7-3-14)24-21(27-20)16-10-12-23-13-11-16/h2-13H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole?
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 410.50 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 22912123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).