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

C20H14FNO2S3 — CID 91284164

IUPAC4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3cccs3)nc2-c2cccc(F)c2)cc1
InChIInChI=1S/C20H14FNO2S3/c1-27(23,24)16-9-7-13(8-10-16)19-18(14-4-2-5-15(21)12-14)22-20(26-19)17-6-3-11-25-17/h2-12H,1H3
InChIKeyZYLKPWQXFMOIIF-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.75
Rot. Bonds4

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

4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 91284164) has the molecular formula C20H14FNO2S3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID91284164
Molecular FormulaC20H14FNO2S3
Molecular Weight415.54 g/mol
Exact Mass415.02
IUPAC Name4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3cccs3)nc2-c2cccc(F)c2)cc1
InChIInChI=1S/C20H14FNO2S3/c1-27(23,24)16-9-7-13(8-10-16)19-18(14-4-2-5-15(21)12-14)22-20(26-19)17-6-3-11-25-17/h2-12H,1H3
InChIKeyZYLKPWQXFMOIIF-UHFFFAOYSA-N
XLogP5.75
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole
CID 67669491
2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54030755
5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole
CID 67725641
(3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
CID 54198431
5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54150112
2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911810
4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
CID 10223922
2-(3-fluorophenyl)thiophene
CID 22486407
2-(3-methylsulfonylphenyl)thiophene
CID 141164326
(3-bromophenyl)-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
CID 70204829
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 10157862
2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54110135

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole (CID 91284164) is 4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole is CS(=O)(=O)c1ccc(-c2sc(-c3cccs3)nc2-c2cccc(F)c2)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is ZYLKPWQXFMOIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2S3/c1-27(23,24)16-9-7-13(8-10-16)19-18(14-4-2-5-15(21)12-14)22-20(26-19)17-6-3-11-25-17/h2-12H,1H3.
What are the key properties of 4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole?
4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 415.54 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 91284164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).