(2-aminoethylamino)thiourea

C3H10N4S — CID 88830737

IUPAC(2-aminoethylamino)thiourea
SMILESNCCNNC(N)=S
InChIInChI=1S/C3H10N4S/c4-1-2-6-7-3(5)8/h6H,1-2,4H2,(H3,5,7,8)
InChIKeySAAXFOVAMOBEOJ-UHFFFAOYSA-N
MW134.21 g/mol
LogP-1.72
Rot. Bonds3

About (2-aminoethylamino)thiourea

(2-aminoethylamino)thiourea (PubChem CID 88830737) has the molecular formula C3H10N4S and a molecular weight of 134.21 g/mol. Its IUPAC name is (2-aminoethylamino)thiourea.

Molecular Properties

Compound Name(2-aminoethylamino)thiourea
PubChem CID88830737
Molecular FormulaC3H10N4S
Molecular Weight134.21 g/mol
Exact Mass134.06
IUPAC Name(2-aminoethylamino)thiourea
SMILESNCCNNC(N)=S
InChIInChI=1S/C3H10N4S/c4-1-2-6-7-3(5)8/h6H,1-2,4H2,(H3,5,7,8)
InChIKeySAAXFOVAMOBEOJ-UHFFFAOYSA-N
XLogP-1.72
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.21
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-aminoethylamino)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydrazinecarbothioamide, 2-propyl-
CID 3374478
2-Ethylhydrazinecarbothioamide
CID 22105028
Ethane-1,2-dithiosemicarbazide
CID 138478536
ST51003339
CID 5062205
1-Hydrazinylethane-1,2-diamine
CID 20078643
[3-(2-Carbamothioylhydrazinyl)propylamino]thiourea
CID 140564772
1-Amino-3-(propylamino)thiourea
CID 154127857
1-Amino-3-(ethylamino)thiourea
CID 154152356
1-[Ethyl(methylamino)amino]-3-(methylamino)thiourea
CID 154429208
2-[2-(Aminomethyl)hydrazinyl]ethanamine
CID 166727530
Sodium;(2-aminoethylamino)thiourea;hydride
CID 173458055
1,3-Bis(ethylamino)thiourea
CID 174665728

Frequently Asked Questions

What is the IUPAC name of (2-aminoethylamino)thiourea?
The IUPAC name of (2-aminoethylamino)thiourea (CID 88830737) is (2-aminoethylamino)thiourea.
What is the SMILES notation for (2-aminoethylamino)thiourea?
The canonical SMILES for (2-aminoethylamino)thiourea is NCCNNC(N)=S.
What is the InChIKey of (2-aminoethylamino)thiourea?
The InChIKey is SAAXFOVAMOBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4S/c4-1-2-6-7-3(5)8/h6H,1-2,4H2,(H3,5,7,8).
What are the key properties of (2-aminoethylamino)thiourea?
(2-aminoethylamino)thiourea has a molecular weight of 134.21 g/mol, XLogP of -1.72, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoethylamino)thiourea is sourced from PubChem (CID 88830737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).