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

C8H10N4OS — CID 139497380

IUPAC5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2nncs2)no1
InChIInChI=1S/C8H10N4OS/c1-8(2,3)7-10-5(12-13-7)6-11-9-4-14-6/h4H,1-3H3
InChIKeyRBLMSPKIHYKJKP-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.89
Rot. Bonds1

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

5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 139497380) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
PubChem CID139497380
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2nncs2)no1
InChIInChI=1S/C8H10N4OS/c1-8(2,3)7-10-5(12-13-7)6-11-9-4-14-6/h4H,1-3H3
InChIKeyRBLMSPKIHYKJKP-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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (CID 139497380) is 5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is CC(C)(C)c1nc(-c2nncs2)no1.
What is the InChIKey of 5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is RBLMSPKIHYKJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-8(2,3)7-10-5(12-13-7)6-11-9-4-14-6/h4H,1-3H3.
What are the key properties of 5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
5-tert-butyl-3-(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 5-tert-butyl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139497380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).