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

C5H4N4OS — CID 142391637

IUPAC5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2nncs2)no1
InChIInChI=1S/C5H4N4OS/c1-3-7-4(9-10-3)5-8-6-2-11-5/h2H,1H3
InChIKeySGELWERJPDQHTM-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.90
Rot. Bonds1

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

5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 142391637) has the molecular formula C5H4N4OS and a molecular weight of 168.18 g/mol. Its IUPAC name is 5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
PubChem CID142391637
Molecular FormulaC5H4N4OS
Molecular Weight168.18 g/mol
Exact Mass168.01
IUPAC Name5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2nncs2)no1
InChIInChI=1S/C5H4N4OS/c1-3-7-4(9-10-3)5-8-6-2-11-5/h2H,1H3
InChIKeySGELWERJPDQHTM-UHFFFAOYSA-N
XLogP0.90
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (CID 142391637) is 5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is Cc1nc(-c2nncs2)no1.
What is the InChIKey of 5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is SGELWERJPDQHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4OS/c1-3-7-4(9-10-3)5-8-6-2-11-5/h2H,1H3.
What are the key properties of 5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 168.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 142391637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).