3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine

C6H9N3S — CID 144642940

IUPAC3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine
SMILESC/C=C(\C)c1nsc(N)n1
InChIInChI=1S/C6H9N3S/c1-3-4(2)5-8-6(7)10-9-5/h3H,1-2H3,(H2,7,8,9)/b4-3+
InChIKeyASBCEMQHKXCUCK-ONEGZZNKSA-N
MW155.23 g/mol
LogP1.54
Rot. Bonds1

About 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine

3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 144642940) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine
PubChem CID144642940
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine
SMILESC/C=C(\C)c1nsc(N)n1
InChIInChI=1S/C6H9N3S/c1-3-4(2)5-8-6(7)10-9-5/h3H,1-2H3,(H2,7,8,9)/b4-3+
InChIKeyASBCEMQHKXCUCK-ONEGZZNKSA-N
XLogP1.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine (CID 144642940) is 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine is C/C=C(\C)c1nsc(N)n1.
What is the InChIKey of 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ASBCEMQHKXCUCK-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9N3S/c1-3-4(2)5-8-6(7)10-9-5/h3H,1-2H3,(H2,7,8,9)/b4-3+.
What are the key properties of 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine?
3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 155.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 144642940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).