5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole

C19H26N4O2S2 — CID 59178836

IUPAC5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESCS(=O)(=O)c1ccc(N2CCC(C3CCN(c4ncns4)CC3)CC2)cc1
InChIInChI=1S/C19H26N4O2S2/c1-27(24,25)18-4-2-17(3-5-18)22-10-6-15(7-11-22)16-8-12-23(13-9-16)19-20-14-21-26-19/h2-5,14-16H,6-13H2,1H3
InChIKeyJYLKMHZNSBORDH-UHFFFAOYSA-N
MW406.58 g/mol
LogP3.07
Rot. Bonds4

About 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole

5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 59178836) has the molecular formula C19H26N4O2S2 and a molecular weight of 406.58 g/mol. Its IUPAC name is 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID59178836
Molecular FormulaC19H26N4O2S2
Molecular Weight406.58 g/mol
Exact Mass406.15
IUPAC Name5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESCS(=O)(=O)c1ccc(N2CCC(C3CCN(c4ncns4)CC3)CC2)cc1
InChIInChI=1S/C19H26N4O2S2/c1-27(24,25)18-4-2-17(3-5-18)22-10-6-15(7-11-22)16-8-12-23(13-9-16)19-20-14-21-26-19/h2-5,14-16H,6-13H2,1H3
InChIKeyJYLKMHZNSBORDH-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole (CID 59178836) is 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole is CS(=O)(=O)c1ccc(N2CCC(C3CCN(c4ncns4)CC3)CC2)cc1.
What is the InChIKey of 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is JYLKMHZNSBORDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S2/c1-27(24,25)18-4-2-17(3-5-18)22-10-6-15(7-11-22)16-8-12-23(13-9-16)19-20-14-21-26-19/h2-5,14-16H,6-13H2,1H3.
What are the key properties of 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole?
5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 406.58 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 59178836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).