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

C5H4N4OS — CID 130781126

IUPAC3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2csnn2)n1
InChIInChI=1S/C5H4N4OS/c1-3-6-5(10-8-3)4-2-11-9-7-4/h2H,1H3
InChIKeyHDSTZQCNWPGREL-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.90
Rot. Bonds1

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

3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 130781126) has the molecular formula C5H4N4OS and a molecular weight of 168.18 g/mol. Its IUPAC name is 3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
PubChem CID130781126
Molecular FormulaC5H4N4OS
Molecular Weight168.18 g/mol
Exact Mass168.01
IUPAC Name3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2csnn2)n1
InChIInChI=1S/C5H4N4OS/c1-3-6-5(10-8-3)4-2-11-9-7-4/h2H,1H3
InChIKeyHDSTZQCNWPGREL-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole (CID 130781126) is 3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole is Cc1noc(-c2csnn2)n1.
What is the InChIKey of 3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is HDSTZQCNWPGREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4OS/c1-3-6-5(10-8-3)4-2-11-9-7-4/h2H,1H3.
What are the key properties of 3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
3-methyl-5-(thiadiazol-4-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 3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 130781126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).