2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C18H20N4OS — CID 92598897

IUPAC2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H20N4OS/c1-13-16(24-12-19-13)18-21-20-17(23-18)15-7-9-22(10-8-15)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3
InChIKeySGQYTKBMAFDGCA-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.88
Rot. Bonds4

About 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598897) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598897
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H20N4OS/c1-13-16(24-12-19-13)18-21-20-17(23-18)15-7-9-22(10-8-15)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3
InChIKeySGQYTKBMAFDGCA-UHFFFAOYSA-N
XLogP3.88
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598897) is 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1ncsc1-c1nnc(C2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is SGQYTKBMAFDGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-16(24-12-19-13)18-21-20-17(23-18)15-7-9-22(10-8-15)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 340.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).