1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol

C4H6N4O3S2 — CID 175256286

IUPAC1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol
SMILESNc1nc(C(O)C(O)=S=NO)ns1
InChIInChI=1S/C4H6N4O3S2/c5-4-6-2(7-13-4)1(9)3(10)12-8-11/h1,9-11H,(H2,5,6,7)
InChIKeyWQEOWFXPWICQII-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.50
Rot. Bonds2

About 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol

1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol (PubChem CID 175256286) has the molecular formula C4H6N4O3S2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol
PubChem CID175256286
Molecular FormulaC4H6N4O3S2
Molecular Weight222.25 g/mol
Exact Mass221.99
IUPAC Name1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol
SMILESNc1nc(C(O)C(O)=S=NO)ns1
InChIInChI=1S/C4H6N4O3S2/c5-4-6-2(7-13-4)1(9)3(10)12-8-11/h1,9-11H,(H2,5,6,7)
InChIKeyWQEOWFXPWICQII-UHFFFAOYSA-N
XLogP-0.50
TPSA124.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(5-Methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90400215
(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 118451831
1-(5-Amino-1,2,4-thiadiazol-3-yl)ethanol
CID 174248175

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol?
The IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol (CID 175256286) is 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol.
What is the SMILES notation for 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol?
The canonical SMILES for 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol is Nc1nc(C(O)C(O)=S=NO)ns1.
What is the InChIKey of 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol?
The InChIKey is WQEOWFXPWICQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3S2/c5-4-6-2(7-13-4)1(9)3(10)12-8-11/h1,9-11H,(H2,5,6,7).
What are the key properties of 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol?
1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol has a molecular weight of 222.25 g/mol, XLogP of -0.50, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-λ4-sulfanylidene)ethane-1,2-diol is sourced from PubChem (CID 175256286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).