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

C17H14FNO4S3 — CID 54150112

IUPAC5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2nc(S(C)(=O)=O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO4S3/c1-25(20,21)14-9-5-11(6-10-14)15-16(12-3-7-13(18)8-4-12)24-17(19-15)26(2,22)23/h3-10H,1-2H3
InChIKeyOHDLHBPHKPUANY-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.42
Rot. Bonds4

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

5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 54150112) has the molecular formula C17H14FNO4S3 and a molecular weight of 411.50 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID54150112
Molecular FormulaC17H14FNO4S3
Molecular Weight411.50 g/mol
Exact Mass411.01
IUPAC Name5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2nc(S(C)(=O)=O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO4S3/c1-25(20,21)14-9-5-11(6-10-14)15-16(12-3-7-13(18)8-4-12)24-17(19-15)26(2,22)23/h3-10H,1-2H3
InChIKeyOHDLHBPHKPUANY-UHFFFAOYSA-N
XLogP3.42
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole (CID 54150112) is 5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2nc(S(C)(=O)=O)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is OHDLHBPHKPUANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S3/c1-25(20,21)14-9-5-11(6-10-14)15-16(12-3-7-13(18)8-4-12)24-17(19-15)26(2,22)23/h3-10H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole?
5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 411.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 54150112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).