2-(aminocarbamothioylamino)-N-ethylacetamide

C5H12N4OS — CID 43566436

IUPAC2-(aminocarbamothioylamino)-N-ethylacetamide
SMILESCCNC(=O)CNC(=S)NN
InChIInChI=1S/C5H12N4OS/c1-2-7-4(10)3-8-5(11)9-6/h2-3,6H2,1H3,(H,7,10)(H2,8,9,11)
InChIKeyAPORINUWMGILBW-UHFFFAOYSA-N
MW176.25 g/mol
LogP-1.54
Rot. Bonds3

About 2-(aminocarbamothioylamino)-N-ethylacetamide

2-(aminocarbamothioylamino)-N-ethylacetamide (PubChem CID 43566436) has the molecular formula C5H12N4OS and a molecular weight of 176.25 g/mol. Its IUPAC name is 2-(aminocarbamothioylamino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(aminocarbamothioylamino)-N-ethylacetamide
PubChem CID43566436
Molecular FormulaC5H12N4OS
Molecular Weight176.25 g/mol
Exact Mass176.07
IUPAC Name2-(aminocarbamothioylamino)-N-ethylacetamide
SMILESCCNC(=O)CNC(=S)NN
InChIInChI=1S/C5H12N4OS/c1-2-7-4(10)3-8-5(11)9-6/h2-3,6H2,1H3,(H,7,10)(H2,8,9,11)
InChIKeyAPORINUWMGILBW-UHFFFAOYSA-N
XLogP-1.54
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(aminocarbamothioylamino)-N-ethylacetamide?
The IUPAC name of 2-(aminocarbamothioylamino)-N-ethylacetamide (CID 43566436) is 2-(aminocarbamothioylamino)-N-ethylacetamide.
What is the SMILES notation for 2-(aminocarbamothioylamino)-N-ethylacetamide?
The canonical SMILES for 2-(aminocarbamothioylamino)-N-ethylacetamide is CCNC(=O)CNC(=S)NN.
What is the InChIKey of 2-(aminocarbamothioylamino)-N-ethylacetamide?
The InChIKey is APORINUWMGILBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4OS/c1-2-7-4(10)3-8-5(11)9-6/h2-3,6H2,1H3,(H,7,10)(H2,8,9,11).
What are the key properties of 2-(aminocarbamothioylamino)-N-ethylacetamide?
2-(aminocarbamothioylamino)-N-ethylacetamide has a molecular weight of 176.25 g/mol, XLogP of -1.54, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminocarbamothioylamino)-N-ethylacetamide is sourced from PubChem (CID 43566436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).