thiadiazol-2-ium-2-amine

C2H4N3S+ — CID 23227845

IUPACthiadiazol-2-ium-2-amine
SMILESN[n+]1nccs1
InChIInChI=1S/C2H4N3S/c3-5-4-1-2-6-5/h1-2H,(H2,3,4)/q+1
InChIKeyUNPNJUUFSLLAMD-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.86
Rot. Bonds

About thiadiazol-2-ium-2-amine

thiadiazol-2-ium-2-amine (PubChem CID 23227845) has the molecular formula C2H4N3S+ and a molecular weight of 102.14 g/mol. Its IUPAC name is thiadiazol-2-ium-2-amine.

Molecular Properties

Compound Namethiadiazol-2-ium-2-amine
PubChem CID23227845
Molecular FormulaC2H4N3S+
Molecular Weight102.14 g/mol
Exact Mass102.01
IUPAC Namethiadiazol-2-ium-2-amine
SMILESN[n+]1nccs1
InChIInChI=1S/C2H4N3S/c3-5-4-1-2-6-5/h1-2H,(H2,3,4)/q+1
InChIKeyUNPNJUUFSLLAMD-UHFFFAOYSA-N
XLogP-0.86
TPSA42.79 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 ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiadiazol-2-ium-2-amine?
The IUPAC name of thiadiazol-2-ium-2-amine (CID 23227845) is thiadiazol-2-ium-2-amine.
What is the SMILES notation for thiadiazol-2-ium-2-amine?
The canonical SMILES for thiadiazol-2-ium-2-amine is N[n+]1nccs1.
What is the InChIKey of thiadiazol-2-ium-2-amine?
The InChIKey is UNPNJUUFSLLAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N3S/c3-5-4-1-2-6-5/h1-2H,(H2,3,4)/q+1.
What are the key properties of thiadiazol-2-ium-2-amine?
thiadiazol-2-ium-2-amine has a molecular weight of 102.14 g/mol, XLogP of -0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-2-ium-2-amine is sourced from PubChem (CID 23227845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).