N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide

C6H12N4O2S — CID 130618938

IUPACN-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide
SMILESCNC(=S)NNC(=O)CNC(C)=O
InChIInChI=1S/C6H12N4O2S/c1-4(11)8-3-5(12)9-10-6(13)7-2/h3H2,1-2H3,(H,8,11)(H,9,12)(H2,7,10,13)
InChIKeyJNPDWLDPNCSTMX-UHFFFAOYSA-N
MW204.25 g/mol
LogP-1.75
Rot. Bonds2

About N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide

N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide (PubChem CID 130618938) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide
PubChem CID130618938
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC NameN-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide
SMILESCNC(=S)NNC(=O)CNC(C)=O
InChIInChI=1S/C6H12N4O2S/c1-4(11)8-3-5(12)9-10-6(13)7-2/h3H2,1-2H3,(H,8,11)(H,9,12)(H2,7,10,13)
InChIKeyJNPDWLDPNCSTMX-UHFFFAOYSA-N
XLogP-1.75
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
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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Related Compounds

1-methyl-3-(octadecanoylamino)thiourea
CID 4189426
1-[(2-cyclopropylacetyl)amino]-3-methylthiourea
CID 130718615
1-(2-bromoprop-2-enyl)-3-(methylcarbamothioylamino)urea
CID 130605291
1-[[2-(4-fluorophenyl)acetyl]amino]-3-methylthiourea
CID 8789219
1-(butanoylamino)-3-ethylthiourea
CID 15917370
N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide
CID 115571220
N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide
CID 4925619
2-acetamido-N-(2-amino-2-methylpropyl)acetamide
CID 81482471
1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea
CID 53353059
[(2-acetamidoacetyl)amino]methyl acetate
CID 126495792
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
2-(cyclopropylcarbamothioylamino)-N-methylacetamide
CID 115571221

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide (CID 130618938) is N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide is CNC(=S)NNC(=O)CNC(C)=O.
What is the InChIKey of N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide?
The InChIKey is JNPDWLDPNCSTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-4(11)8-3-5(12)9-10-6(13)7-2/h3H2,1-2H3,(H,8,11)(H,9,12)(H2,7,10,13).
What are the key properties of N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide?
N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide has a molecular weight of 204.25 g/mol, XLogP of -1.75, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide is sourced from PubChem (CID 130618938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).