1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea

C8H15N3O2S — CID 106186241

IUPAC1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea
SMILESCOCCNC(=S)NC1CNC(=O)C1
InChIInChI=1S/C8H15N3O2S/c1-13-3-2-9-8(14)11-6-4-7(12)10-5-6/h6H,2-5H2,1H3,(H,10,12)(H2,9,11,14)
InChIKeyVOWKZTYDJXCLOU-UHFFFAOYSA-N
MW217.29 g/mol
LogP-1.01
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea

1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea (PubChem CID 106186241) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea
PubChem CID106186241
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea
SMILESCOCCNC(=S)NC1CNC(=O)C1
InChIInChI=1S/C8H15N3O2S/c1-13-3-2-9-8(14)11-6-4-7(12)10-5-6/h6H,2-5H2,1H3,(H,10,12)(H2,9,11,14)
InChIKeyVOWKZTYDJXCLOU-UHFFFAOYSA-N
XLogP-1.01
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)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-(3-methoxypropyl)-3-(5-oxopyrrolidin-3-yl)thiourea
CID 106186223
1-methyl-3-(5-oxopyrrolidin-3-yl)thiourea
CID 106186247
1-butyl-3-(6-oxopiperidin-3-yl)thiourea
CID 116508630
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
CID 114155915
1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 130625812
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156282
1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea
CID 115880253
1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea
CID 115674490
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445
1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea
CID 115590134

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea (CID 106186241) is 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea is COCCNC(=S)NC1CNC(=O)C1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea?
The InChIKey is VOWKZTYDJXCLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-13-3-2-9-8(14)11-6-4-7(12)10-5-6/h6H,2-5H2,1H3,(H,10,12)(H2,9,11,14).
What are the key properties of 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea?
1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea has a molecular weight of 217.29 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea is sourced from PubChem (CID 106186241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).