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

C6H6N4OS2 — CID 131086364

IUPAC5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCSc1nnc(-c2noc(C)n2)s1
InChIInChI=1S/C6H6N4OS2/c1-3-7-4(10-11-3)5-8-9-6(12-2)13-5/h1-2H3
InChIKeyUGQPTMDHUIXHSK-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.62
Rot. Bonds2

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

5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 131086364) has the molecular formula C6H6N4OS2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
PubChem CID131086364
Molecular FormulaC6H6N4OS2
Molecular Weight214.27 g/mol
Exact Mass214.00
IUPAC Name5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCSc1nnc(-c2noc(C)n2)s1
InChIInChI=1S/C6H6N4OS2/c1-3-7-4(10-11-3)5-8-9-6(12-2)13-5/h1-2H3
InChIKeyUGQPTMDHUIXHSK-UHFFFAOYSA-N
XLogP1.62
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 99823918
1-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}piperazine
CID 46986467
3-Methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 142391625
5-Methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 142391637
Ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 142391664
3,5-Dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane
CID 143251930
5-Propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 146238789
5-[(5-Methyl-1,2,4-oxadiazol-3-yl)methylthio]-1,3,4-thiadiazole-2-ylamine
CID 1255637
5-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 28782716
2-[[5-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30284861
N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide
CID 46996624
5-Methyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 47125191

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (CID 131086364) is 5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is CSc1nnc(-c2noc(C)n2)s1.
What is the InChIKey of 5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is UGQPTMDHUIXHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS2/c1-3-7-4(10-11-3)5-8-9-6(12-2)13-5/h1-2H3.
What are the key properties of 5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 214.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 131086364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).