2-(ethylaminocarbamothioylamino)acetamide

C5H12N4OS — CID 131224087

IUPAC2-(ethylaminocarbamothioylamino)acetamide
SMILESCCNNC(=S)NCC(N)=O
InChIInChI=1S/C5H12N4OS/c1-2-8-9-5(11)7-3-4(6)10/h8H,2-3H2,1H3,(H2,6,10)(H2,7,9,11)
InChIKeyRPMFQZHIOMAYMP-UHFFFAOYSA-N
MW176.25 g/mol
LogP-1.54
Rot. Bonds4

About 2-(ethylaminocarbamothioylamino)acetamide

2-(ethylaminocarbamothioylamino)acetamide (PubChem CID 131224087) has the molecular formula C5H12N4OS and a molecular weight of 176.25 g/mol. Its IUPAC name is 2-(ethylaminocarbamothioylamino)acetamide.

Molecular Properties

Compound Name2-(ethylaminocarbamothioylamino)acetamide
PubChem CID131224087
Molecular FormulaC5H12N4OS
Molecular Weight176.25 g/mol
Exact Mass176.07
IUPAC Name2-(ethylaminocarbamothioylamino)acetamide
SMILESCCNNC(=S)NCC(N)=O
InChIInChI=1S/C5H12N4OS/c1-2-8-9-5(11)7-3-4(6)10/h8H,2-3H2,1H3,(H2,6,10)(H2,7,9,11)
InChIKeyRPMFQZHIOMAYMP-UHFFFAOYSA-N
XLogP-1.54
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(ethylaminocarbamothioylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminocarbamothioylamino)acetamide?
The IUPAC name of 2-(ethylaminocarbamothioylamino)acetamide (CID 131224087) is 2-(ethylaminocarbamothioylamino)acetamide.
What is the SMILES notation for 2-(ethylaminocarbamothioylamino)acetamide?
The canonical SMILES for 2-(ethylaminocarbamothioylamino)acetamide is CCNNC(=S)NCC(N)=O.
What is the InChIKey of 2-(ethylaminocarbamothioylamino)acetamide?
The InChIKey is RPMFQZHIOMAYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4OS/c1-2-8-9-5(11)7-3-4(6)10/h8H,2-3H2,1H3,(H2,6,10)(H2,7,9,11).
What are the key properties of 2-(ethylaminocarbamothioylamino)acetamide?
2-(ethylaminocarbamothioylamino)acetamide has a molecular weight of 176.25 g/mol, XLogP of -1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminocarbamothioylamino)acetamide is sourced from PubChem (CID 131224087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).