[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea

C5H11N5O2S — CID 131102311

IUPAC[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea
SMILESCNC(=S)NNC(=O)CNC(N)=O
InChIInChI=1S/C5H11N5O2S/c1-7-5(13)10-9-3(11)2-8-4(6)12/h2H2,1H3,(H,9,11)(H3,6,8,12)(H2,7,10,13)
InChIKeyHHPLGIFWLGWMHQ-UHFFFAOYSA-N
MW205.24 g/mol
LogP-2.22
Rot. Bonds2

About [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea

[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea (PubChem CID 131102311) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea
PubChem CID131102311
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC Name[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea
SMILESCNC(=S)NNC(=O)CNC(N)=O
InChIInChI=1S/C5H11N5O2S/c1-7-5(13)10-9-3(11)2-8-4(6)12/h2H2,1H3,(H,9,11)(H3,6,8,12)(H2,7,10,13)
InChIKeyHHPLGIFWLGWMHQ-UHFFFAOYSA-N
XLogP-2.22
TPSA108.28 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-2.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea?
The IUPAC name of [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea (CID 131102311) is [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea?
The canonical SMILES for [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea is CNC(=S)NNC(=O)CNC(N)=O.
What is the InChIKey of [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea?
The InChIKey is HHPLGIFWLGWMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S/c1-7-5(13)10-9-3(11)2-8-4(6)12/h2H2,1H3,(H,9,11)(H3,6,8,12)(H2,7,10,13).
What are the key properties of [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea?
[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea has a molecular weight of 205.24 g/mol, XLogP of -2.22, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]urea is sourced from PubChem (CID 131102311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).