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

C23H18FNO3S2 — CID 22911850

IUPAC4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)s2)cc1
InChIInChI=1S/C23H18FNO3S2/c1-28-18-13-9-16(10-14-18)23-25-21(15-7-11-17(24)12-8-15)22(29-23)19-5-3-4-6-20(19)30(2,26)27/h3-14H,1-2H3
InChIKeyMLUXHALNTCUEJT-UHFFFAOYSA-N
MW439.53 g/mol
LogP5.70
Rot. Bonds5

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

4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22911850) 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-(2-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22911850
Molecular FormulaC23H18FNO3S2
Molecular Weight439.53 g/mol
Exact Mass439.07
IUPAC Name4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)s2)cc1
InChIInChI=1S/C23H18FNO3S2/c1-28-18-13-9-16(10-14-18)23-25-21(15-7-11-17(24)12-8-15)22(29-23)19-5-3-4-6-20(19)30(2,26)27/h3-14H,1-2H3
InChIKeyMLUXHALNTCUEJT-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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Related Compounds

2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912110
4-(4-fluorophenyl)-2-(4-methylphenyl)sulfanyl-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912129
4-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911817
4-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912114
2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole
CID 22911779
4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912370
2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911777
N-(4-bromophenyl)-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22912345
4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22911720
2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912319
5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912167
2-[(3,5-difluorophenyl)methylsulfonyl]-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911993

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole (CID 22911850) is 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole is COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)s2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is MLUXHALNTCUEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3S2/c1-28-18-13-9-16(10-14-18)23-25-21(15-7-11-17(24)12-8-15)22(29-23)19-5-3-4-6-20(19)30(2,26)27/h3-14H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-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-(2-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22911850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).