2-(aminocarbamothioylamino)-N-propylacetamide

C6H14N4OS — CID 43567460

IUPAC2-(aminocarbamothioylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC(=S)NN
InChIInChI=1S/C6H14N4OS/c1-2-3-8-5(11)4-9-6(12)10-7/h2-4,7H2,1H3,(H,8,11)(H2,9,10,12)
InChIKeySFGNHNLEVGJHJG-UHFFFAOYSA-N
MW190.27 g/mol
LogP-1.15
Rot. Bonds4

About 2-(aminocarbamothioylamino)-N-propylacetamide

2-(aminocarbamothioylamino)-N-propylacetamide (PubChem CID 43567460) has the molecular formula C6H14N4OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(aminocarbamothioylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(aminocarbamothioylamino)-N-propylacetamide
PubChem CID43567460
Molecular FormulaC6H14N4OS
Molecular Weight190.27 g/mol
Exact Mass190.09
IUPAC Name2-(aminocarbamothioylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC(=S)NN
InChIInChI=1S/C6H14N4OS/c1-2-3-8-5(11)4-9-6(12)10-7/h2-4,7H2,1H3,(H,8,11)(H2,9,10,12)
InChIKeySFGNHNLEVGJHJG-UHFFFAOYSA-N
XLogP-1.15
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-1.15
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-propylacetamide?
The IUPAC name of 2-(aminocarbamothioylamino)-N-propylacetamide (CID 43567460) is 2-(aminocarbamothioylamino)-N-propylacetamide.
What is the SMILES notation for 2-(aminocarbamothioylamino)-N-propylacetamide?
The canonical SMILES for 2-(aminocarbamothioylamino)-N-propylacetamide is CCCNC(=O)CNC(=S)NN.
What is the InChIKey of 2-(aminocarbamothioylamino)-N-propylacetamide?
The InChIKey is SFGNHNLEVGJHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4OS/c1-2-3-8-5(11)4-9-6(12)10-7/h2-4,7H2,1H3,(H,8,11)(H2,9,10,12).
What are the key properties of 2-(aminocarbamothioylamino)-N-propylacetamide?
2-(aminocarbamothioylamino)-N-propylacetamide has a molecular weight of 190.27 g/mol, XLogP of -1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminocarbamothioylamino)-N-propylacetamide is sourced from PubChem (CID 43567460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).