1,2,4-thiadiazol-5-amine;hydrochloride

C2H4ClN3S — CID 22014543

IUPAC1,2,4-thiadiazol-5-amine;hydrochloride
SMILESCl.Nc1ncns1
InChIInChI=1S/C2H3N3S.ClH/c3-2-4-1-5-6-2;/h1H,(H2,3,4,5);1H
InChIKeyJCIIKRHCWVHVFF-UHFFFAOYSA-N
MW137.60 g/mol
LogP0.54
Rot. Bonds

About 1,2,4-thiadiazol-5-amine;hydrochloride

1,2,4-thiadiazol-5-amine;hydrochloride (PubChem CID 22014543) has the molecular formula C2H4ClN3S and a molecular weight of 137.60 g/mol. Its IUPAC name is 1,2,4-thiadiazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1,2,4-thiadiazol-5-amine;hydrochloride
PubChem CID22014543
Molecular FormulaC2H4ClN3S
Molecular Weight137.60 g/mol
Exact Mass136.98
IUPAC Name1,2,4-thiadiazol-5-amine;hydrochloride
SMILESCl.Nc1ncns1
InChIInChI=1S/C2H3N3S.ClH/c3-2-4-1-5-6-2;/h1H,(H2,3,4,5);1H
InChIKeyJCIIKRHCWVHVFF-UHFFFAOYSA-N
XLogP0.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.60
LogP ≤ 50.54
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-amine;hydrochloride?
The IUPAC name of 1,2,4-thiadiazol-5-amine;hydrochloride (CID 22014543) is 1,2,4-thiadiazol-5-amine;hydrochloride.
What is the SMILES notation for 1,2,4-thiadiazol-5-amine;hydrochloride?
The canonical SMILES for 1,2,4-thiadiazol-5-amine;hydrochloride is Cl.Nc1ncns1.
What is the InChIKey of 1,2,4-thiadiazol-5-amine;hydrochloride?
The InChIKey is JCIIKRHCWVHVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3S.ClH/c3-2-4-1-5-6-2;/h1H,(H2,3,4,5);1H.
What are the key properties of 1,2,4-thiadiazol-5-amine;hydrochloride?
1,2,4-thiadiazol-5-amine;hydrochloride has a molecular weight of 137.60 g/mol, XLogP of 0.54, 0 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-amine;hydrochloride is sourced from PubChem (CID 22014543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).