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

C10H8FNO2S2 — CID 151437489

IUPAC5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2cncs2)cc1F
InChIInChI=1S/C10H8FNO2S2/c1-16(13,14)10-3-2-7(4-8(10)11)9-5-12-6-15-9/h2-6H,1H3
InChIKeyPDUVTVQBSCJQMW-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.35
Rot. Bonds2

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

5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 151437489) has the molecular formula C10H8FNO2S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID151437489
Molecular FormulaC10H8FNO2S2
Molecular Weight257.31 g/mol
Exact Mass257.00
IUPAC Name5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2cncs2)cc1F
InChIInChI=1S/C10H8FNO2S2/c1-16(13,14)10-3-2-7(4-8(10)11)9-5-12-6-15-9/h2-6H,1H3
InChIKeyPDUVTVQBSCJQMW-UHFFFAOYSA-N
XLogP2.35
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.35
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)-1,3-thiazole?
The IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole (CID 151437489) is 5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2cncs2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is PDUVTVQBSCJQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S2/c1-16(13,14)10-3-2-7(4-8(10)11)9-5-12-6-15-9/h2-6H,1H3.
What are the key properties of 5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole?
5-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 257.31 g/mol, XLogP of 2.35, 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)-1,3-thiazole is sourced from PubChem (CID 151437489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).