5-tert-butyl-1,2,4-thiadiazole

C6H10N2S — CID 23383498

IUPAC5-tert-butyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1ncns1
InChIInChI=1S/C6H10N2S/c1-6(2,3)5-7-4-8-9-5/h4H,1-3H3
InChIKeyDMFPURJCVIOMBP-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.84
Rot. Bonds

About 5-tert-butyl-1,2,4-thiadiazole

5-tert-butyl-1,2,4-thiadiazole (PubChem CID 23383498) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 5-tert-butyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-1,2,4-thiadiazole
PubChem CID23383498
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name5-tert-butyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1ncns1
InChIInChI=1S/C6H10N2S/c1-6(2,3)5-7-4-8-9-5/h4H,1-3H3
InChIKeyDMFPURJCVIOMBP-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2,4-thiadiazole?
The IUPAC name of 5-tert-butyl-1,2,4-thiadiazole (CID 23383498) is 5-tert-butyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-tert-butyl-1,2,4-thiadiazole?
The canonical SMILES for 5-tert-butyl-1,2,4-thiadiazole is CC(C)(C)c1ncns1.
What is the InChIKey of 5-tert-butyl-1,2,4-thiadiazole?
The InChIKey is DMFPURJCVIOMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-6(2,3)5-7-4-8-9-5/h4H,1-3H3.
What are the key properties of 5-tert-butyl-1,2,4-thiadiazole?
5-tert-butyl-1,2,4-thiadiazole has a molecular weight of 142.23 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2,4-thiadiazole is sourced from PubChem (CID 23383498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).