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

C8H15N3S — CID 82406023

IUPAC1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine
SMILESCC(N)c1nsc(C(C)(C)C)n1
InChIInChI=1S/C8H15N3S/c1-5(9)6-10-7(12-11-6)8(2,3)4/h5H,9H2,1-4H3
InChIKeyJKNQBQJBAJFMCP-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.86
Rot. Bonds1

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

1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine (PubChem CID 82406023) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine
PubChem CID82406023
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine
SMILESCC(N)c1nsc(C(C)(C)C)n1
InChIInChI=1S/C8H15N3S/c1-5(9)6-10-7(12-11-6)8(2,3)4/h5H,9H2,1-4H3
InChIKeyJKNQBQJBAJFMCP-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine?
The IUPAC name of 1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine (CID 82406023) is 1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine is CC(N)c1nsc(C(C)(C)C)n1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine?
The InChIKey is JKNQBQJBAJFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(9)6-10-7(12-11-6)8(2,3)4/h5H,9H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine?
1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine has a molecular weight of 185.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2,4-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 82406023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).