3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole

C6H10N2OS — CID 130670162

IUPAC3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole
SMILESCSCCc1nc(C)no1
InChIInChI=1S/C6H10N2OS/c1-5-7-6(9-8-5)3-4-10-2/h3-4H2,1-2H3
InChIKeyPCXRQOBMFITGCB-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.28
Rot. Bonds3

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

3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole (PubChem CID 130670162) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole
PubChem CID130670162
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole
SMILESCSCCc1nc(C)no1
InChIInChI=1S/C6H10N2OS/c1-5-7-6(9-8-5)3-4-10-2/h3-4H2,1-2H3
InChIKeyPCXRQOBMFITGCB-UHFFFAOYSA-N
XLogP1.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
3-(1-chloropropyl)-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole
CID 103095693
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
CID 131086308
(2R)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 106420767
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 58326632
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111626320
5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole
CID 75510425
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine;hydrochloride
CID 71828949

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole (CID 130670162) is 3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole is CSCCc1nc(C)no1.
What is the InChIKey of 3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole?
The InChIKey is PCXRQOBMFITGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5-7-6(9-8-5)3-4-10-2/h3-4H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole?
3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole has a molecular weight of 158.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130670162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).