2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium

C5H5N4OSY- — CID 59032339

IUPAC2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium
SMILESC/N=C(\[C-]=O)c1nsc(N)n1.[Y]
InChIInChI=1S/C5H5N4OS.Y/c1-7-3(2-10)4-8-5(6)11-9-4;/h1H3,(H2,6,8,9);/q-1;/b7-3+;
InChIKeyUTEMCHXORYVIQT-CDQVLDCRSA-N
MW258.09 g/mol
LogP-0.35
Rot. Bonds2

About 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium

2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium (PubChem CID 59032339) has the molecular formula C5H5N4OSY- and a molecular weight of 258.09 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium.

Molecular Properties

Compound Name2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium
PubChem CID59032339
Molecular FormulaC5H5N4OSY-
Molecular Weight258.09 g/mol
Exact Mass257.92
IUPAC Name2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium
SMILESC/N=C(\[C-]=O)c1nsc(N)n1.[Y]
InChIInChI=1S/C5H5N4OS.Y/c1-7-3(2-10)4-8-5(6)11-9-4;/h1H3,(H2,6,8,9);/q-1;/b7-3+;
InChIKeyUTEMCHXORYVIQT-CDQVLDCRSA-N
XLogP-0.35
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium?
The IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium (CID 59032339) is 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium.
What is the SMILES notation for 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium?
The canonical SMILES for 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium is C/N=C(\[C-]=O)c1nsc(N)n1.[Y].
What is the InChIKey of 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium?
The InChIKey is UTEMCHXORYVIQT-CDQVLDCRSA-N. The full InChI is InChI=1S/C5H5N4OS.Y/c1-7-3(2-10)4-8-5(6)11-9-4;/h1H3,(H2,6,8,9);/q-1;/b7-3+;.
What are the key properties of 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium?
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium has a molecular weight of 258.09 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium is sourced from PubChem (CID 59032339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).