1,2,4-thiadiazol-5-ylmethanamine

C3H5N3S — CID 82418955

IUPAC1,2,4-thiadiazol-5-ylmethanamine
SMILESNCc1ncns1
InChIInChI=1S/C3H5N3S/c4-1-3-5-2-6-7-3/h2H,1,4H2
InChIKeyZXHXPVGNWARJMS-UHFFFAOYSA-N
MW115.16 g/mol
LogP-0.00
Rot. Bonds1

About 1,2,4-thiadiazol-5-ylmethanamine

1,2,4-thiadiazol-5-ylmethanamine (PubChem CID 82418955) has the molecular formula C3H5N3S and a molecular weight of 115.16 g/mol. Its IUPAC name is 1,2,4-thiadiazol-5-ylmethanamine.

Molecular Properties

Compound Name1,2,4-thiadiazol-5-ylmethanamine
PubChem CID82418955
Molecular FormulaC3H5N3S
Molecular Weight115.16 g/mol
Exact Mass115.02
IUPAC Name1,2,4-thiadiazol-5-ylmethanamine
SMILESNCc1ncns1
InChIInChI=1S/C3H5N3S/c4-1-3-5-2-6-7-3/h2H,1,4H2
InChIKeyZXHXPVGNWARJMS-UHFFFAOYSA-N
XLogP-0.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-thiadiazol-5-ylmethanamine?
The IUPAC name of 1,2,4-thiadiazol-5-ylmethanamine (CID 82418955) is 1,2,4-thiadiazol-5-ylmethanamine.
What is the SMILES notation for 1,2,4-thiadiazol-5-ylmethanamine?
The canonical SMILES for 1,2,4-thiadiazol-5-ylmethanamine is NCc1ncns1.
What is the InChIKey of 1,2,4-thiadiazol-5-ylmethanamine?
The InChIKey is ZXHXPVGNWARJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S/c4-1-3-5-2-6-7-3/h2H,1,4H2.
What are the key properties of 1,2,4-thiadiazol-5-ylmethanamine?
1,2,4-thiadiazol-5-ylmethanamine has a molecular weight of 115.16 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-thiadiazol-5-ylmethanamine is sourced from PubChem (CID 82418955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).