3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine

C5H7N3S — CID 144731094

IUPAC3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine
SMILESC/C=C/c1nsc(N)n1
InChIInChI=1S/C5H7N3S/c1-2-3-4-7-5(6)9-8-4/h2-3H,1H3,(H2,6,7,8)/b3-2+
InChIKeyVVEORBXQKQZVBJ-NSCUHMNNSA-N
MW141.20 g/mol
LogP1.15
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine

3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine (PubChem CID 144731094) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine
PubChem CID144731094
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine
SMILESC/C=C/c1nsc(N)n1
InChIInChI=1S/C5H7N3S/c1-2-3-4-7-5(6)9-8-4/h2-3H,1H3,(H2,6,7,8)/b3-2+
InChIKeyVVEORBXQKQZVBJ-NSCUHMNNSA-N
XLogP1.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine (CID 144731094) is 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine is C/C=C/c1nsc(N)n1.
What is the InChIKey of 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is VVEORBXQKQZVBJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H7N3S/c1-2-3-4-7-5(6)9-8-4/h2-3H,1H3,(H2,6,7,8)/b3-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine?
3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 141.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 144731094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).