5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole

C20H21N3OS — CID 2810769

IUPAC5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESCOc1ccccc1C1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C20H21N3OS/c1-24-18-10-6-5-9-17(18)15-11-13-23(14-12-15)20-21-19(22-25-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyCSQCKKWUTBHCJV-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.60
Rot. Bonds4

About 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole

5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole (PubChem CID 2810769) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole
PubChem CID2810769
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESCOc1ccccc1C1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C20H21N3OS/c1-24-18-10-6-5-9-17(18)15-11-13-23(14-12-15)20-21-19(22-25-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyCSQCKKWUTBHCJV-UHFFFAOYSA-N
XLogP4.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole (CID 2810769) is 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole is COc1ccccc1C1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The InChIKey is CSQCKKWUTBHCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-24-18-10-6-5-9-17(18)15-11-13-23(14-12-15)20-21-19(22-25-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3.
What are the key properties of 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole?
5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole has a molecular weight of 351.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 2810769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).