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

C8H10N4OS — CID 139497333

IUPAC3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(-c2nncs2)n1
InChIInChI=1S/C8H10N4OS/c1-8(2,3)7-10-5(13-12-7)6-11-9-4-14-6/h4H,1-3H3
InChIKeyACEWDVXEJSJQOF-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.89
Rot. Bonds1

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

3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 139497333) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
PubChem CID139497333
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(-c2nncs2)n1
InChIInChI=1S/C8H10N4OS/c1-8(2,3)7-10-5(13-12-7)6-11-9-4-14-6/h4H,1-3H3
InChIKeyACEWDVXEJSJQOF-UHFFFAOYSA-N
XLogP1.89
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-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

Methyl 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1,3,4-thiadiazole-2-carboxylate
CID 139497331
3-Tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
CID 139497334
Methyl 5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,3,4-thiadiazole-2-carboxylate
CID 139497376
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
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-Propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 146238789
3-Tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47151086
3-Tert-butyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 47151087
3-Tert-butyl-5-[1-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]-1,2,4-oxadiazole
CID 133903925
5-Tert-butyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 133966664

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (CID 139497333) is 3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is CC(C)(C)c1noc(-c2nncs2)n1.
What is the InChIKey of 3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is ACEWDVXEJSJQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-8(2,3)7-10-5(13-12-7)6-11-9-4-14-6/h4H,1-3H3.
What are the key properties of 3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 210.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139497333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).