2-(aminocarbamothioylamino)-N-cyclopropylacetamide

C6H12N4OS — CID 43568460

IUPAC2-(aminocarbamothioylamino)-N-cyclopropylacetamide
SMILESNNC(=S)NCC(=O)NC1CC1
InChIInChI=1S/C6H12N4OS/c7-10-6(12)8-3-5(11)9-4-1-2-4/h4H,1-3,7H2,(H,9,11)(H2,8,10,12)
InChIKeyGFQRJXIZNHVRFK-UHFFFAOYSA-N
MW188.26 g/mol
LogP-1.40
Rot. Bonds3

About 2-(aminocarbamothioylamino)-N-cyclopropylacetamide

2-(aminocarbamothioylamino)-N-cyclopropylacetamide (PubChem CID 43568460) has the molecular formula C6H12N4OS and a molecular weight of 188.26 g/mol. Its IUPAC name is 2-(aminocarbamothioylamino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(aminocarbamothioylamino)-N-cyclopropylacetamide
PubChem CID43568460
Molecular FormulaC6H12N4OS
Molecular Weight188.26 g/mol
Exact Mass188.07
IUPAC Name2-(aminocarbamothioylamino)-N-cyclopropylacetamide
SMILESNNC(=S)NCC(=O)NC1CC1
InChIInChI=1S/C6H12N4OS/c7-10-6(12)8-3-5(11)9-4-1-2-4/h4H,1-3,7H2,(H,9,11)(H2,8,10,12)
InChIKeyGFQRJXIZNHVRFK-UHFFFAOYSA-N
XLogP-1.40
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 5-1.40
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-cyclopropylacetamide?
The IUPAC name of 2-(aminocarbamothioylamino)-N-cyclopropylacetamide (CID 43568460) is 2-(aminocarbamothioylamino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(aminocarbamothioylamino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(aminocarbamothioylamino)-N-cyclopropylacetamide is NNC(=S)NCC(=O)NC1CC1.
What is the InChIKey of 2-(aminocarbamothioylamino)-N-cyclopropylacetamide?
The InChIKey is GFQRJXIZNHVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4OS/c7-10-6(12)8-3-5(11)9-4-1-2-4/h4H,1-3,7H2,(H,9,11)(H2,8,10,12).
What are the key properties of 2-(aminocarbamothioylamino)-N-cyclopropylacetamide?
2-(aminocarbamothioylamino)-N-cyclopropylacetamide has a molecular weight of 188.26 g/mol, XLogP of -1.40, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminocarbamothioylamino)-N-cyclopropylacetamide is sourced from PubChem (CID 43568460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).