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

C7H10N4OS — CID 142391664

IUPACethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCC.Cc1noc(-c2nncs2)n1
InChIInChI=1S/C5H4N4OS.C2H6/c1-3-7-4(10-9-3)5-8-6-2-11-5;1-2/h2H,1H3;1-2H3
InChIKeyZAMSCKYIFNVZEM-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.92
Rot. Bonds1

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

ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 142391664) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
PubChem CID142391664
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Nameethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCC.Cc1noc(-c2nncs2)n1
InChIInChI=1S/C5H4N4OS.C2H6/c1-3-7-4(10-9-3)5-8-6-2-11-5;1-2/h2H,1H3;1-2H3
InChIKeyZAMSCKYIFNVZEM-UHFFFAOYSA-N
XLogP1.92
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;3-methyl-5-(1,3,4-thiadiazol-2-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

Related Compounds

3-Tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 139497333
5-Tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 139497380
3-Methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 142391625
Methyl 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4-thiadiazole-2-carboxylate
CID 142391633
5-Methyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 142391637
Ethane;methyl 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3,4-thiadiazole-2-carboxylate
CID 142391667
Methyl 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3,4-thiadiazole-2-carboxylate
CID 142391668
Ethane;methyl 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4-thiadiazole-2-carboxylate
CID 142391685
5-Propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 146238789
5-Methyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 47125191
3-Methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 47140827
3-Methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47140862

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (CID 142391664) is ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is CC.Cc1noc(-c2nncs2)n1.
What is the InChIKey of ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZAMSCKYIFNVZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4OS.C2H6/c1-3-7-4(10-9-3)5-8-6-2-11-5;1-2/h2H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 198.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 142391664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).