3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane

C10H18N4OS — CID 143251930

IUPAC3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane
SMILESCC.Cc1nnc(C)s1.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C4H6N2S.C2H6/c1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-2/h2*1-2H3;1-2H3
InChIKeyYISSKQMSWWZEIB-UHFFFAOYSA-N
MW242.35 g/mol
LogP2.87
Rot. Bonds

About 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane

3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane (PubChem CID 143251930) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane
PubChem CID143251930
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane
SMILESCC.Cc1nnc(C)s1.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C4H6N2S.C2H6/c1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-2/h2*1-2H3;1-2H3
InChIKeyYISSKQMSWWZEIB-UHFFFAOYSA-N
XLogP2.87
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 99823918
Ethane;methyl 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4-thiadiazole-2-carboxylate
CID 142391632
5-Methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 142391637
3-Methyl-5-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,2,4-oxadiazole
CID 147999634
3,5-Ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole
CID 157351680
Methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 158726243
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole
CID 161359025
2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 40099612
3-Methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47140862
3-Methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47140892
5-[(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 47146063
5-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47147490

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane (CID 143251930) is 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane is CC.Cc1nnc(C)s1.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane?
The InChIKey is YISSKQMSWWZEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C4H6N2S.C2H6/c1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-2/h2*1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane?
3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane has a molecular weight of 242.35 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane is sourced from PubChem (CID 143251930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).