2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide

C4H8N4O2S — CID 131085789

IUPAC2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide
SMILESCNC(=S)NNC(=O)C(N)=O
InChIInChI=1S/C4H8N4O2S/c1-6-4(11)8-7-3(10)2(5)9/h1H3,(H2,5,9)(H,7,10)(H2,6,8,11)
InChIKeyFZOKIOXALLEPQP-UHFFFAOYSA-N
MW176.20 g/mol
LogP-2.40
Rot. Bonds

About 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide

2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide (PubChem CID 131085789) has the molecular formula C4H8N4O2S and a molecular weight of 176.20 g/mol. Its IUPAC name is 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide
PubChem CID131085789
Molecular FormulaC4H8N4O2S
Molecular Weight176.20 g/mol
Exact Mass176.04
IUPAC Name2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide
SMILESCNC(=S)NNC(=O)C(N)=O
InChIInChI=1S/C4H8N4O2S/c1-6-4(11)8-7-3(10)2(5)9/h1H3,(H2,5,9)(H,7,10)(H2,6,8,11)
InChIKeyFZOKIOXALLEPQP-UHFFFAOYSA-N
XLogP-2.40
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide (CID 131085789) is 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide is CNC(=S)NNC(=O)C(N)=O.
What is the InChIKey of 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is FZOKIOXALLEPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S/c1-6-4(11)8-7-3(10)2(5)9/h1H3,(H2,5,9)(H,7,10)(H2,6,8,11).
What are the key properties of 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide?
2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 176.20 g/mol, XLogP of -2.40, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 131085789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).