5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole

C11H10FNO2S2 — CID 141108498

IUPAC5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H10FNO2S2/c1-7-11(16-6-13-7)8-3-4-10(9(12)5-8)17(2,14)15/h3-6H,1-2H3
InChIKeyLKJMNRCAMRRGJB-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.66
Rot. Bonds2

About 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole

5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole (PubChem CID 141108498) has the molecular formula C11H10FNO2S2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole
PubChem CID141108498
Molecular FormulaC11H10FNO2S2
Molecular Weight271.34 g/mol
Exact Mass271.01
IUPAC Name5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H10FNO2S2/c1-7-11(16-6-13-7)8-3-4-10(9(12)5-8)17(2,14)15/h3-6H,1-2H3
InChIKeyLKJMNRCAMRRGJB-UHFFFAOYSA-N
XLogP2.66
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole (CID 141108498) is 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole is Cc1ncsc1-c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole?
The InChIKey is LKJMNRCAMRRGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S2/c1-7-11(16-6-13-7)8-3-4-10(9(12)5-8)17(2,14)15/h3-6H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole?
5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole has a molecular weight of 271.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 141108498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).