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

C6H6N4OS2 — CID 47140827

IUPAC3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCc1noc(CSc2nncs2)n1
InChIInChI=1S/C6H6N4OS2/c1-4-8-5(11-10-4)2-12-6-9-7-3-13-6/h3H,2H2,1H3
InChIKeyBWITYRIKAJJLDX-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.52
Rot. Bonds3

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

3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 47140827) has the molecular formula C6H6N4OS2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID47140827
Molecular FormulaC6H6N4OS2
Molecular Weight214.27 g/mol
Exact Mass214.00
IUPAC Name3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCc1noc(CSc2nncs2)n1
InChIInChI=1S/C6H6N4OS2/c1-4-8-5(11-10-4)2-12-6-9-7-3-13-6/h3H,2H2,1H3
InChIKeyBWITYRIKAJJLDX-UHFFFAOYSA-N
XLogP1.52
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.52
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
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
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
5-Methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 37612879
3-Propan-2-yl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 40141591
3-Ethyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 40141592
3-Tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 46635359
5-Methyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 47125191

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 47140827) is 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole is Cc1noc(CSc2nncs2)n1.
What is the InChIKey of 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is BWITYRIKAJJLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS2/c1-4-8-5(11-10-4)2-12-6-9-7-3-13-6/h3H,2H2,1H3.
What are the key properties of 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 214.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 47140827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).