3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole

C8H8N4OS — CID 162383894

IUPAC3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCSc1ncc(-c2nc(C)no2)cn1
InChIInChI=1S/C8H8N4OS/c1-5-11-7(13-12-5)6-3-9-8(14-2)10-4-6/h3-4H,1-2H3
InChIKeyBJDRNTXMWNAMEH-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.56
Rot. Bonds2

About 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole

3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 162383894) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID162383894
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCSc1ncc(-c2nc(C)no2)cn1
InChIInChI=1S/C8H8N4OS/c1-5-11-7(13-12-5)6-3-9-8(14-2)10-4-6/h3-4H,1-2H3
InChIKeyBJDRNTXMWNAMEH-UHFFFAOYSA-N
XLogP1.56
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.56
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-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole (CID 162383894) is 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole is CSc1ncc(-c2nc(C)no2)cn1.
What is the InChIKey of 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is BJDRNTXMWNAMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-11-7(13-12-5)6-3-9-8(14-2)10-4-6/h3-4H,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole?
3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 208.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 162383894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).