2-tert-butyl-1,3,4-thiadiazole;ethane

C8H16N2S — CID 145181852

IUPAC2-tert-butyl-1,3,4-thiadiazole;ethane
SMILESCC.CC(C)(C)c1nncs1
InChIInChI=1S/C6H10N2S.C2H6/c1-6(2,3)5-8-7-4-9-5;1-2/h4H,1-3H3;1-2H3
InChIKeyNLGOEZIZTDGFPL-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.86
Rot. Bonds

About 2-tert-butyl-1,3,4-thiadiazole;ethane

2-tert-butyl-1,3,4-thiadiazole;ethane (PubChem CID 145181852) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4-thiadiazole;ethane.

Molecular Properties

Compound Name2-tert-butyl-1,3,4-thiadiazole;ethane
PubChem CID145181852
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-tert-butyl-1,3,4-thiadiazole;ethane
SMILESCC.CC(C)(C)c1nncs1
InChIInChI=1S/C6H10N2S.C2H6/c1-6(2,3)5-8-7-4-9-5;1-2/h4H,1-3H3;1-2H3
InChIKeyNLGOEZIZTDGFPL-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4-thiadiazole;ethane?
The IUPAC name of 2-tert-butyl-1,3,4-thiadiazole;ethane (CID 145181852) is 2-tert-butyl-1,3,4-thiadiazole;ethane.
What is the SMILES notation for 2-tert-butyl-1,3,4-thiadiazole;ethane?
The canonical SMILES for 2-tert-butyl-1,3,4-thiadiazole;ethane is CC.CC(C)(C)c1nncs1.
What is the InChIKey of 2-tert-butyl-1,3,4-thiadiazole;ethane?
The InChIKey is NLGOEZIZTDGFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.C2H6/c1-6(2,3)5-8-7-4-9-5;1-2/h4H,1-3H3;1-2H3.
What are the key properties of 2-tert-butyl-1,3,4-thiadiazole;ethane?
2-tert-butyl-1,3,4-thiadiazole;ethane has a molecular weight of 172.30 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,4-thiadiazole;ethane is sourced from PubChem (CID 145181852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).