1-(2-aminoethyl)-1-ethylthiourea

C5H13N3S — CID 150699369

IUPAC1-(2-aminoethyl)-1-ethylthiourea
SMILESCCN(CCN)C(N)=S
InChIInChI=1S/C5H13N3S/c1-2-8(4-3-6)5(7)9/h2-4,6H2,1H3,(H2,7,9)
InChIKeyJLNSDPBMCWVWIM-UHFFFAOYSA-N
MW147.25 g/mol
LogP-0.49
Rot. Bonds3

About 1-(2-aminoethyl)-1-ethylthiourea

1-(2-aminoethyl)-1-ethylthiourea (PubChem CID 150699369) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-ethylthiourea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-ethylthiourea
PubChem CID150699369
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name1-(2-aminoethyl)-1-ethylthiourea
SMILESCCN(CCN)C(N)=S
InChIInChI=1S/C5H13N3S/c1-2-8(4-3-6)5(7)9/h2-4,6H2,1H3,(H2,7,9)
InChIKeyJLNSDPBMCWVWIM-UHFFFAOYSA-N
XLogP-0.49
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-aminoethyl)-1-ethylthiourea 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-(2-aminoethyl)-1-ethylthiourea?
The IUPAC name of 1-(2-aminoethyl)-1-ethylthiourea (CID 150699369) is 1-(2-aminoethyl)-1-ethylthiourea.
What is the SMILES notation for 1-(2-aminoethyl)-1-ethylthiourea?
The canonical SMILES for 1-(2-aminoethyl)-1-ethylthiourea is CCN(CCN)C(N)=S.
What is the InChIKey of 1-(2-aminoethyl)-1-ethylthiourea?
The InChIKey is JLNSDPBMCWVWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-2-8(4-3-6)5(7)9/h2-4,6H2,1H3,(H2,7,9).
What are the key properties of 1-(2-aminoethyl)-1-ethylthiourea?
1-(2-aminoethyl)-1-ethylthiourea has a molecular weight of 147.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-ethylthiourea is sourced from PubChem (CID 150699369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).