3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole

C15H23N5OS — CID 133493712

IUPAC3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CC2CCCN(c3nc(C(C)(C)C)ns3)C2)no1
InChIInChI=1S/C15H23N5OS/c1-10-16-12(18-21-10)8-11-6-5-7-20(9-11)14-17-13(19-22-14)15(2,3)4/h11H,5-9H2,1-4H3
InChIKeyMEUXDFVCOIUXLR-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.99
Rot. Bonds3

About 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 133493712) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID133493712
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CC2CCCN(c3nc(C(C)(C)C)ns3)C2)no1
InChIInChI=1S/C15H23N5OS/c1-10-16-12(18-21-10)8-11-6-5-7-20(9-11)14-17-13(19-22-14)15(2,3)4/h11H,5-9H2,1-4H3
InChIKeyMEUXDFVCOIUXLR-UHFFFAOYSA-N
XLogP2.99
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 133493712) is 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CC2CCCN(c3nc(C(C)(C)C)ns3)C2)no1.
What is the InChIKey of 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is MEUXDFVCOIUXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-10-16-12(18-21-10)8-11-6-5-7-20(9-11)14-17-13(19-22-14)15(2,3)4/h11H,5-9H2,1-4H3.
What are the key properties of 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 321.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 133493712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).