4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole

C18H16FNO2S2 — CID 173279631

IUPAC4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole
SMILESCc1ccc(-c2ccc(S(C)(=O)=O)c(F)c2)c(-c2cscn2)c1C
InChIInChI=1S/C18H16FNO2S2/c1-11-4-6-14(18(12(11)2)16-9-23-10-20-16)13-5-7-17(15(19)8-13)24(3,21)22/h4-10H,1-3H3
InChIKeyDXUCJOZOADWFBY-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.64
Rot. Bonds3

About 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole

4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole (PubChem CID 173279631) has the molecular formula C18H16FNO2S2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole
PubChem CID173279631
Molecular FormulaC18H16FNO2S2
Molecular Weight361.46 g/mol
Exact Mass361.06
IUPAC Name4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole
SMILESCc1ccc(-c2ccc(S(C)(=O)=O)c(F)c2)c(-c2cscn2)c1C
InChIInChI=1S/C18H16FNO2S2/c1-11-4-6-14(18(12(11)2)16-9-23-10-20-16)13-5-7-17(15(19)8-13)24(3,21)22/h4-10H,1-3H3
InChIKeyDXUCJOZOADWFBY-UHFFFAOYSA-N
XLogP4.64
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(3-fluoro-4-methylsulfonylphenyl)-5-methylpyrrol-1-yl]-2-methylphenyl]-1,3-thiazole
CID 22316693
5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole
CID 22316677
3-(4-bromophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183344
3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183335
3-(3-fluoro-4-methylsulfonylphenyl)-4-[3-methyl-4-(trifluoromethoxy)phenyl]thiophene
CID 18183374
3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine
CID 70124796
4-(3,4,5-trimethylphenyl)-1,3-thiazole
CID 174513001
3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22317017
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene
CID 22746938
3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine
CID 90162747
4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine
CID 70122138
5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 57351277

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole?
The IUPAC name of 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole (CID 173279631) is 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole.
What is the SMILES notation for 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole?
The canonical SMILES for 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole is Cc1ccc(-c2ccc(S(C)(=O)=O)c(F)c2)c(-c2cscn2)c1C.
What is the InChIKey of 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole?
The InChIKey is DXUCJOZOADWFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S2/c1-11-4-6-14(18(12(11)2)16-9-23-10-20-16)13-5-7-17(15(19)8-13)24(3,21)22/h4-10H,1-3H3.
What are the key properties of 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole?
4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole has a molecular weight of 361.46 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluoro-4-methylsulfonylphenyl)-2,3-dimethylphenyl]-1,3-thiazole is sourced from PubChem (CID 173279631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).