3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole

C8H10N4OS — CID 147999634

IUPAC3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCc2nnc(C)s2)n1
InChIInChI=1S/C8H10N4OS/c1-5-9-7(13-12-5)3-4-8-11-10-6(2)14-8/h3-4H2,1-2H3
InChIKeyIWRMAMZONYBQCR-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.32
Rot. Bonds3

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

3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 147999634) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole
PubChem CID147999634
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCc2nnc(C)s2)n1
InChIInChI=1S/C8H10N4OS/c1-5-9-7(13-12-5)3-4-8-11-10-6(2)14-8/h3-4H2,1-2H3
InChIKeyIWRMAMZONYBQCR-UHFFFAOYSA-N
XLogP1.32
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole (CID 147999634) is 3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole is Cc1noc(CCc2nnc(C)s2)n1.
What is the InChIKey of 3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is IWRMAMZONYBQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5-9-7(13-12-5)3-4-8-11-10-6(2)14-8/h3-4H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole?
3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 210.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 147999634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).