2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole

C15H17FN2O2S2 — CID 110289831

IUPAC2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
SMILESCc1cc(S(=O)(=O)N2CCC(c3nccs3)CC2)ccc1F
InChIInChI=1S/C15H17FN2O2S2/c1-11-10-13(2-3-14(11)16)22(19,20)18-7-4-12(5-8-18)15-17-6-9-21-15/h2-3,6,9-10,12H,4-5,7-8H2,1H3
InChIKeyJUZNYLNAQBKERV-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.16
Rot. Bonds3

About 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole

2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole (PubChem CID 110289831) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
PubChem CID110289831
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.45 g/mol
Exact Mass340.07
IUPAC Name2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
SMILESCc1cc(S(=O)(=O)N2CCC(c3nccs3)CC2)ccc1F
InChIInChI=1S/C15H17FN2O2S2/c1-11-10-13(2-3-14(11)16)22(19,20)18-7-4-12(5-8-18)15-17-6-9-21-15/h2-3,6,9-10,12H,4-5,7-8H2,1H3
InChIKeyJUZNYLNAQBKERV-UHFFFAOYSA-N
XLogP3.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole (CID 110289831) is 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole is Cc1cc(S(=O)(=O)N2CCC(c3nccs3)CC2)ccc1F.
What is the InChIKey of 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole?
The InChIKey is JUZNYLNAQBKERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c1-11-10-13(2-3-14(11)16)22(19,20)18-7-4-12(5-8-18)15-17-6-9-21-15/h2-3,6,9-10,12H,4-5,7-8H2,1H3.
What are the key properties of 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole?
2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole has a molecular weight of 340.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 110289831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).