1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine

C9H13N5OS — CID 65198537

IUPAC1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2snnc2C)n1
InChIInChI=1S/C9H13N5OS/c1-3-4-6(10)8-11-9(15-13-8)7-5(2)12-14-16-7/h6H,3-4,10H2,1-2H3
InChIKeyUQEUEAWVMIDYOG-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.70
Rot. Bonds4

About 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine

1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (PubChem CID 65198537) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
PubChem CID65198537
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2snnc2C)n1
InChIInChI=1S/C9H13N5OS/c1-3-4-6(10)8-11-9(15-13-8)7-5(2)12-14-16-7/h6H,3-4,10H2,1-2H3
InChIKeyUQEUEAWVMIDYOG-UHFFFAOYSA-N
XLogP1.70
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The IUPAC name of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (CID 65198537) is 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The canonical SMILES for 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is CCCC(N)c1noc(-c2snnc2C)n1.
What is the InChIKey of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The InChIKey is UQEUEAWVMIDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-3-4-6(10)8-11-9(15-13-8)7-5(2)12-14-16-7/h6H,3-4,10H2,1-2H3.
What are the key properties of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine has a molecular weight of 239.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is sourced from PubChem (CID 65198537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).