1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea

C5H11N3O2S — CID 53353059

IUPAC1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea
SMILESCCNC(=S)NNC(=O)CO
InChIInChI=1S/C5H11N3O2S/c1-2-6-5(11)8-7-4(10)3-9/h9H,2-3H2,1H3,(H,7,10)(H2,6,8,11)
InChIKeyQHUSJBURJKATPO-UHFFFAOYSA-N
MW177.23 g/mol
LogP-1.51
Rot. Bonds2

About 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea

1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea (PubChem CID 53353059) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea
PubChem CID53353059
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea
SMILESCCNC(=S)NNC(=O)CO
InChIInChI=1S/C5H11N3O2S/c1-2-6-5(11)8-7-4(10)3-9/h9H,2-3H2,1H3,(H,7,10)(H2,6,8,11)
InChIKeyQHUSJBURJKATPO-UHFFFAOYSA-N
XLogP-1.51
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
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-ethyl-3-[(2-hydroxyacetyl)amino]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

1-(butanoylamino)-3-ethylthiourea
CID 15917370
1-ethyl-3-[[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 2349980
1-ethyl-3-(3-hydroxypropylamino)thiourea
CID 86100101
1-[(2-diphenylphosphorylacetyl)amino]-3-ethylthiourea
CID 171365830
N'-acetyl-2-hydroxyacetohydrazide
CID 43558797
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
CID 4290547
1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8746565
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea
CID 7964165
1-ethyl-3-[(2-methylbenzoyl)amino]thiourea
CID 4299886
1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea
CID 139215876
N,N'-diethylpropanediamide
CID 4600245
N-[3-[2-(ethylcarbamothioyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 7977380

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea?
The IUPAC name of 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea (CID 53353059) is 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea?
The canonical SMILES for 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea is CCNC(=S)NNC(=O)CO.
What is the InChIKey of 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea?
The InChIKey is QHUSJBURJKATPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-2-6-5(11)8-7-4(10)3-9/h9H,2-3H2,1H3,(H,7,10)(H2,6,8,11).
What are the key properties of 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea?
1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea has a molecular weight of 177.23 g/mol, XLogP of -1.51, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea is sourced from PubChem (CID 53353059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).