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

C12H15N7OS — CID 146200035

IUPAC3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nsc(CCc2noc(CCc3n[nH]c(C)n3)n2)n1
InChIInChI=1S/C12H15N7OS/c1-7-13-9(17-16-7)3-5-11-15-10(18-20-11)4-6-12-14-8(2)19-21-12/h3-6H2,1-2H3,(H,13,16,17)
InChIKeyXWUAEQBCJIYODZ-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.23
Rot. Bonds6

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

3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 146200035) has the molecular formula C12H15N7OS and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
PubChem CID146200035
Molecular FormulaC12H15N7OS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nsc(CCc2noc(CCc3n[nH]c(C)n3)n2)n1
InChIInChI=1S/C12H15N7OS/c1-7-13-9(17-16-7)3-5-11-15-10(18-20-11)4-6-12-14-8(2)19-21-12/h3-6H2,1-2H3,(H,13,16,17)
InChIKeyXWUAEQBCJIYODZ-UHFFFAOYSA-N
XLogP1.23
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole (CID 146200035) is 3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole is Cc1nsc(CCc2noc(CCc3n[nH]c(C)n3)n2)n1.
What is the InChIKey of 3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is XWUAEQBCJIYODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7OS/c1-7-13-9(17-16-7)3-5-11-15-10(18-20-11)4-6-12-14-8(2)19-21-12/h3-6H2,1-2H3,(H,13,16,17).
What are the key properties of 3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 305.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146200035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).