2-(aminocarbamothioylamino)propanamide

C4H10N4OS — CID 43545667

IUPAC2-(aminocarbamothioylamino)propanamide
SMILESCC(NC(=S)NN)C(N)=O
InChIInChI=1S/C4H10N4OS/c1-2(3(5)9)7-4(10)8-6/h2H,6H2,1H3,(H2,5,9)(H2,7,8,10)
InChIKeyIOPLOCBDVFBAFU-UHFFFAOYSA-N
MW162.22 g/mol
LogP-1.80
Rot. Bonds2

About 2-(aminocarbamothioylamino)propanamide

2-(aminocarbamothioylamino)propanamide (PubChem CID 43545667) has the molecular formula C4H10N4OS and a molecular weight of 162.22 g/mol. Its IUPAC name is 2-(aminocarbamothioylamino)propanamide.

Molecular Properties

Compound Name2-(aminocarbamothioylamino)propanamide
PubChem CID43545667
Molecular FormulaC4H10N4OS
Molecular Weight162.22 g/mol
Exact Mass162.06
IUPAC Name2-(aminocarbamothioylamino)propanamide
SMILESCC(NC(=S)NN)C(N)=O
InChIInChI=1S/C4H10N4OS/c1-2(3(5)9)7-4(10)8-6/h2H,6H2,1H3,(H2,5,9)(H2,7,8,10)
InChIKeyIOPLOCBDVFBAFU-UHFFFAOYSA-N
XLogP-1.80
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 5-1.80
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)propanamide?
The IUPAC name of 2-(aminocarbamothioylamino)propanamide (CID 43545667) is 2-(aminocarbamothioylamino)propanamide.
What is the SMILES notation for 2-(aminocarbamothioylamino)propanamide?
The canonical SMILES for 2-(aminocarbamothioylamino)propanamide is CC(NC(=S)NN)C(N)=O.
What is the InChIKey of 2-(aminocarbamothioylamino)propanamide?
The InChIKey is IOPLOCBDVFBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4OS/c1-2(3(5)9)7-4(10)8-6/h2H,6H2,1H3,(H2,5,9)(H2,7,8,10).
What are the key properties of 2-(aminocarbamothioylamino)propanamide?
2-(aminocarbamothioylamino)propanamide has a molecular weight of 162.22 g/mol, XLogP of -1.80, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminocarbamothioylamino)propanamide is sourced from PubChem (CID 43545667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).