1-(carbamothioylamino)-3-cyclopropylurea

C5H10N4OS — CID 130686513

IUPAC1-(carbamothioylamino)-3-cyclopropylurea
SMILESNC(=S)NNC(=O)NC1CC1
InChIInChI=1S/C5H10N4OS/c6-4(11)8-9-5(10)7-3-1-2-3/h3H,1-2H2,(H3,6,8,11)(H2,7,9,10)
InChIKeyRHPIBYNCMIIDDI-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.80
Rot. Bonds1

About 1-(carbamothioylamino)-3-cyclopropylurea

1-(carbamothioylamino)-3-cyclopropylurea (PubChem CID 130686513) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is 1-(carbamothioylamino)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(carbamothioylamino)-3-cyclopropylurea
PubChem CID130686513
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name1-(carbamothioylamino)-3-cyclopropylurea
SMILESNC(=S)NNC(=O)NC1CC1
InChIInChI=1S/C5H10N4OS/c6-4(11)8-9-5(10)7-3-1-2-3/h3H,1-2H2,(H3,6,8,11)(H2,7,9,10)
InChIKeyRHPIBYNCMIIDDI-UHFFFAOYSA-N
XLogP-0.80
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(carbamothioylamino)-3-cyclopropylurea 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 1-(carbamothioylamino)-3-cyclopropylurea?
The IUPAC name of 1-(carbamothioylamino)-3-cyclopropylurea (CID 130686513) is 1-(carbamothioylamino)-3-cyclopropylurea.
What is the SMILES notation for 1-(carbamothioylamino)-3-cyclopropylurea?
The canonical SMILES for 1-(carbamothioylamino)-3-cyclopropylurea is NC(=S)NNC(=O)NC1CC1.
What is the InChIKey of 1-(carbamothioylamino)-3-cyclopropylurea?
The InChIKey is RHPIBYNCMIIDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4OS/c6-4(11)8-9-5(10)7-3-1-2-3/h3H,1-2H2,(H3,6,8,11)(H2,7,9,10).
What are the key properties of 1-(carbamothioylamino)-3-cyclopropylurea?
1-(carbamothioylamino)-3-cyclopropylurea has a molecular weight of 174.23 g/mol, XLogP of -0.80, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-3-cyclopropylurea is sourced from PubChem (CID 130686513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).