5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole

C13H20N6OS — CID 65198484

IUPAC5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
SMILESCCCC(c1noc(-c2snnc2C)n1)N1CCNCC1
InChIInChI=1S/C13H20N6OS/c1-3-4-10(19-7-5-14-6-8-19)12-15-13(20-17-12)11-9(2)16-18-21-11/h10,14H,3-8H2,1-2H3
InChIKeyONLAFVUFAKJGBQ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.64
Rot. Bonds5

About 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole

5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole (PubChem CID 65198484) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
PubChem CID65198484
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
SMILESCCCC(c1noc(-c2snnc2C)n1)N1CCNCC1
InChIInChI=1S/C13H20N6OS/c1-3-4-10(19-7-5-14-6-8-19)12-15-13(20-17-12)11-9(2)16-18-21-11/h10,14H,3-8H2,1-2H3
InChIKeyONLAFVUFAKJGBQ-UHFFFAOYSA-N
XLogP1.64
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole (CID 65198484) is 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole is CCCC(c1noc(-c2snnc2C)n1)N1CCNCC1.
What is the InChIKey of 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The InChIKey is ONLAFVUFAKJGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-3-4-10(19-7-5-14-6-8-19)12-15-13(20-17-12)11-9(2)16-18-21-11/h10,14H,3-8H2,1-2H3.
What are the key properties of 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole has a molecular weight of 308.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylthiadiazol-5-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65198484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).