thiadiazol-3-ium-5-amine

C2H4N3S+ — CID 173135081

IUPACthiadiazol-3-ium-5-amine
SMILESNc1c[nH+]ns1
InChIInChI=1S/C2H3N3S/c3-2-1-4-5-6-2/h1H,3H2/p+1
InChIKeyPVGHNTXQMCYYGF-UHFFFAOYSA-O
MW102.14 g/mol
LogP-0.46
Rot. Bonds

About thiadiazol-3-ium-5-amine

thiadiazol-3-ium-5-amine (PubChem CID 173135081) has the molecular formula C2H4N3S+ and a molecular weight of 102.14 g/mol. Its IUPAC name is thiadiazol-3-ium-5-amine.

Molecular Properties

Compound Namethiadiazol-3-ium-5-amine
PubChem CID173135081
Molecular FormulaC2H4N3S+
Molecular Weight102.14 g/mol
Exact Mass102.01
IUPAC Namethiadiazol-3-ium-5-amine
SMILESNc1c[nH+]ns1
InChIInChI=1S/C2H3N3S/c3-2-1-4-5-6-2/h1H,3H2/p+1
InChIKeyPVGHNTXQMCYYGF-UHFFFAOYSA-O
XLogP-0.46
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiadiazol-3-ium-5-amine?
The IUPAC name of thiadiazol-3-ium-5-amine (CID 173135081) is thiadiazol-3-ium-5-amine.
What is the SMILES notation for thiadiazol-3-ium-5-amine?
The canonical SMILES for thiadiazol-3-ium-5-amine is Nc1c[nH+]ns1.
What is the InChIKey of thiadiazol-3-ium-5-amine?
The InChIKey is PVGHNTXQMCYYGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3N3S/c3-2-1-4-5-6-2/h1H,3H2/p+1.
What are the key properties of thiadiazol-3-ium-5-amine?
thiadiazol-3-ium-5-amine has a molecular weight of 102.14 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-3-ium-5-amine is sourced from PubChem (CID 173135081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).