(1-cyanoethylamino)thiourea

C4H8N4S — CID 88799942

IUPAC(1-cyanoethylamino)thiourea
SMILESCC(C#N)NNC(N)=S
InChIInChI=1S/C4H8N4S/c1-3(2-5)7-8-4(6)9/h3,7H,1H3,(H3,6,8,9)
InChIKeyGLAZKBSRTJZYQZ-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.76
Rot. Bonds2

About (1-cyanoethylamino)thiourea

(1-cyanoethylamino)thiourea (PubChem CID 88799942) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is (1-cyanoethylamino)thiourea.

Molecular Properties

Compound Name(1-cyanoethylamino)thiourea
PubChem CID88799942
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name(1-cyanoethylamino)thiourea
SMILESCC(C#N)NNC(N)=S
InChIInChI=1S/C4H8N4S/c1-3(2-5)7-8-4(6)9/h3,7H,1H3,(H3,6,8,9)
InChIKeyGLAZKBSRTJZYQZ-UHFFFAOYSA-N
XLogP-0.76
TPSA73.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
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 (1-cyanoethylamino)thiourea 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-cyanoethylamino)thiourea?
The IUPAC name of (1-cyanoethylamino)thiourea (CID 88799942) is (1-cyanoethylamino)thiourea.
What is the SMILES notation for (1-cyanoethylamino)thiourea?
The canonical SMILES for (1-cyanoethylamino)thiourea is CC(C#N)NNC(N)=S.
What is the InChIKey of (1-cyanoethylamino)thiourea?
The InChIKey is GLAZKBSRTJZYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-3(2-5)7-8-4(6)9/h3,7H,1H3,(H3,6,8,9).
What are the key properties of (1-cyanoethylamino)thiourea?
(1-cyanoethylamino)thiourea has a molecular weight of 144.20 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanoethylamino)thiourea is sourced from PubChem (CID 88799942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).