N-[2-(aminocarbamothioylamino)ethyl]acetamide

C5H12N4OS — CID 20501583

IUPACN-[2-(aminocarbamothioylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(=S)NN
InChIInChI=1S/C5H12N4OS/c1-4(10)7-2-3-8-5(11)9-6/h2-3,6H2,1H3,(H,7,10)(H2,8,9,11)
InChIKeyRUUZGIXULFRUFD-UHFFFAOYSA-N
MW176.25 g/mol
LogP-1.54
Rot. Bonds3

About N-[2-(aminocarbamothioylamino)ethyl]acetamide

N-[2-(aminocarbamothioylamino)ethyl]acetamide (PubChem CID 20501583) has the molecular formula C5H12N4OS and a molecular weight of 176.25 g/mol. Its IUPAC name is N-[2-(aminocarbamothioylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(aminocarbamothioylamino)ethyl]acetamide
PubChem CID20501583
Molecular FormulaC5H12N4OS
Molecular Weight176.25 g/mol
Exact Mass176.07
IUPAC NameN-[2-(aminocarbamothioylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(=S)NN
InChIInChI=1S/C5H12N4OS/c1-4(10)7-2-3-8-5(11)9-6/h2-3,6H2,1H3,(H,7,10)(H2,8,9,11)
InChIKeyRUUZGIXULFRUFD-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[2-(aminocarbamothioylamino)ethyl]acetamide?
The IUPAC name of N-[2-(aminocarbamothioylamino)ethyl]acetamide (CID 20501583) is N-[2-(aminocarbamothioylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(aminocarbamothioylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(aminocarbamothioylamino)ethyl]acetamide is CC(=O)NCCNC(=S)NN.
What is the InChIKey of N-[2-(aminocarbamothioylamino)ethyl]acetamide?
The InChIKey is RUUZGIXULFRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4OS/c1-4(10)7-2-3-8-5(11)9-6/h2-3,6H2,1H3,(H,7,10)(H2,8,9,11).
What are the key properties of N-[2-(aminocarbamothioylamino)ethyl]acetamide?
N-[2-(aminocarbamothioylamino)ethyl]acetamide 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 N-[2-(aminocarbamothioylamino)ethyl]acetamide is sourced from PubChem (CID 20501583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).