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

C12H17N5OS — CID 65205754

IUPAC3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nnsc1-c1nc(C2CCNCC2)no1
InChIInChI=1S/C12H17N5OS/c1-7(2)9-10(19-17-15-9)12-14-11(16-18-12)8-3-5-13-6-4-8/h7-8,13H,3-6H2,1-2H3
InChIKeyMJYQHOXXCLSXMF-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.18
Rot. Bonds3

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

3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 65205754) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID65205754
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nnsc1-c1nc(C2CCNCC2)no1
InChIInChI=1S/C12H17N5OS/c1-7(2)9-10(19-17-15-9)12-14-11(16-18-12)8-3-5-13-6-4-8/h7-8,13H,3-6H2,1-2H3
InChIKeyMJYQHOXXCLSXMF-UHFFFAOYSA-N
XLogP2.18
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole (CID 65205754) is 3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole is CC(C)c1nnsc1-c1nc(C2CCNCC2)no1.
What is the InChIKey of 3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is MJYQHOXXCLSXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-7(2)9-10(19-17-15-9)12-14-11(16-18-12)8-3-5-13-6-4-8/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole?
3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 279.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65205754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).