5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C15H23N5OS — CID 56713828

IUPAC5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3snnc3CC)n2)CC1
InChIInChI=1S/C15H23N5OS/c1-3-7-20-8-5-11(6-9-20)10-13-16-15(21-18-13)14-12(4-2)17-19-22-14/h11H,3-10H2,1-2H3
InChIKeyHFALRTDNSHOIMX-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.82
Rot. Bonds6

About 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56713828) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56713828
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3snnc3CC)n2)CC1
InChIInChI=1S/C15H23N5OS/c1-3-7-20-8-5-11(6-9-20)10-13-16-15(21-18-13)14-12(4-2)17-19-22-14/h11H,3-10H2,1-2H3
InChIKeyHFALRTDNSHOIMX-UHFFFAOYSA-N
XLogP2.82
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56713828) is 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CCCN1CCC(Cc2noc(-c3snnc3CC)n2)CC1.
What is the InChIKey of 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is HFALRTDNSHOIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-3-7-20-8-5-11(6-9-20)10-13-16-15(21-18-13)14-12(4-2)17-19-22-14/h11H,3-10H2,1-2H3.
What are the key properties of 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 321.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylthiadiazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56713828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).