3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole

C12H17N5OS — CID 65207261

IUPAC3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1nnsc1-c1nc(C2CCCCN2)no1
InChIInChI=1S/C12H17N5OS/c1-2-5-8-10(19-17-15-8)12-14-11(16-18-12)9-6-3-4-7-13-9/h9,13H,2-7H2,1H3
InChIKeyNURGAXDHPVKHLP-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.36
Rot. Bonds4

About 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole

3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 65207261) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID65207261
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1nnsc1-c1nc(C2CCCCN2)no1
InChIInChI=1S/C12H17N5OS/c1-2-5-8-10(19-17-15-8)12-14-11(16-18-12)9-6-3-4-7-13-9/h9,13H,2-7H2,1H3
InChIKeyNURGAXDHPVKHLP-UHFFFAOYSA-N
XLogP2.36
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-tert-butylthiadiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 65207262
5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 103619120
5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 54944807
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
3-(azepan-2-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazole
CID 103972221
5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104672075
5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 62677702
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916536
3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 65216136
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole (CID 65207261) is 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole is CCCc1nnsc1-c1nc(C2CCCCN2)no1.
What is the InChIKey of 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is NURGAXDHPVKHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-2-5-8-10(19-17-15-8)12-14-11(16-18-12)9-6-3-4-7-13-9/h9,13H,2-7H2,1H3.
What are the key properties of 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole?
3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 279.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65207261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).