4-tert-butylthiadiazole

C6H10N2S — CID 2748877

IUPAC4-tert-butylthiadiazole
SMILESCC(C)(C)c1csnn1
InChIInChI=1S/C6H10N2S/c1-6(2,3)5-4-9-8-7-5/h4H,1-3H3
InChIKeyOEPVZAPYTAHXAB-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.84
Rot. Bonds

About 4-tert-butylthiadiazole

4-tert-butylthiadiazole (PubChem CID 2748877) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4-tert-butylthiadiazole.

Molecular Properties

Compound Name4-tert-butylthiadiazole
PubChem CID2748877
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4-tert-butylthiadiazole
SMILESCC(C)(C)c1csnn1
InChIInChI=1S/C6H10N2S/c1-6(2,3)5-4-9-8-7-5/h4H,1-3H3
InChIKeyOEPVZAPYTAHXAB-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 4-tert-butylthiadiazole?
The IUPAC name of 4-tert-butylthiadiazole (CID 2748877) is 4-tert-butylthiadiazole.
What is the SMILES notation for 4-tert-butylthiadiazole?
The canonical SMILES for 4-tert-butylthiadiazole is CC(C)(C)c1csnn1.
What is the InChIKey of 4-tert-butylthiadiazole?
The InChIKey is OEPVZAPYTAHXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-6(2,3)5-4-9-8-7-5/h4H,1-3H3.
What are the key properties of 4-tert-butylthiadiazole?
4-tert-butylthiadiazole 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 4-tert-butylthiadiazole is sourced from PubChem (CID 2748877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).