3-prop-2-enyl-1,2,4-thiadiazol-5-amine

C5H7N3S — CID 69449014

IUPAC3-prop-2-enyl-1,2,4-thiadiazol-5-amine
SMILESC=CCc1nsc(N)n1
InChIInChI=1S/C5H7N3S/c1-2-3-4-7-5(6)9-8-4/h2H,1,3H2,(H2,6,7,8)
InChIKeySNZHNLYPEKJJME-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.85
Rot. Bonds2

About 3-prop-2-enyl-1,2,4-thiadiazol-5-amine

3-prop-2-enyl-1,2,4-thiadiazol-5-amine (PubChem CID 69449014) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 3-prop-2-enyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-prop-2-enyl-1,2,4-thiadiazol-5-amine
PubChem CID69449014
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name3-prop-2-enyl-1,2,4-thiadiazol-5-amine
SMILESC=CCc1nsc(N)n1
InChIInChI=1S/C5H7N3S/c1-2-3-4-7-5(6)9-8-4/h2H,1,3H2,(H2,6,7,8)
InChIKeySNZHNLYPEKJJME-UHFFFAOYSA-N
XLogP0.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-prop-2-enyl-1,2,4-thiadiazol-5-amine (CID 69449014) is 3-prop-2-enyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-prop-2-enyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-prop-2-enyl-1,2,4-thiadiazol-5-amine is C=CCc1nsc(N)n1.
What is the InChIKey of 3-prop-2-enyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SNZHNLYPEKJJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-2-3-4-7-5(6)9-8-4/h2H,1,3H2,(H2,6,7,8).
What are the key properties of 3-prop-2-enyl-1,2,4-thiadiazol-5-amine?
3-prop-2-enyl-1,2,4-thiadiazol-5-amine has a molecular weight of 141.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 69449014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).