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

C23H18FNO3S2 — CID 22911832

IUPAC4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)s2)cc1
InChIInChI=1S/C23H18FNO3S2/c1-28-19-11-5-17(6-12-19)23-25-21(15-3-9-18(24)10-4-15)22(29-23)16-7-13-20(14-8-16)30(2,26)27/h3-14H,1-2H3
InChIKeyFZDZYBFQXQOSSE-UHFFFAOYSA-N
MW439.53 g/mol
LogP5.70
Rot. Bonds5

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

4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22911832) has the molecular formula C23H18FNO3S2 and a molecular weight of 439.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22911832
Molecular FormulaC23H18FNO3S2
Molecular Weight439.53 g/mol
Exact Mass439.07
IUPAC Name4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)s2)cc1
InChIInChI=1S/C23H18FNO3S2/c1-28-19-11-5-17(6-12-19)23-25-21(15-3-9-18(24)10-4-15)22(29-23)16-7-13-20(14-8-16)30(2,26)27/h3-14H,1-2H3
InChIKeyFZDZYBFQXQOSSE-UHFFFAOYSA-N
XLogP5.70
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (CID 22911832) is 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)s2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is FZDZYBFQXQOSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3S2/c1-28-19-11-5-17(6-12-19)23-25-21(15-3-9-18(24)10-4-15)22(29-23)16-7-13-20(14-8-16)30(2,26)27/h3-14H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 439.53 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22911832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).