1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea

C7H14N4OS — CID 130847134

IUPAC1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea
SMILESCCN1CC(NC(=S)NN)CC1=O
InChIInChI=1S/C7H14N4OS/c1-2-11-4-5(3-6(11)12)9-7(13)10-8/h5H,2-4,8H2,1H3,(H2,9,10,13)
InChIKeyTVQUEDHIZKYSGF-UHFFFAOYSA-N
MW202.28 g/mol
LogP-1.05
Rot. Bonds2

About 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea

1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea (PubChem CID 130847134) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea
PubChem CID130847134
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea
SMILESCCN1CC(NC(=S)NN)CC1=O
InChIInChI=1S/C7H14N4OS/c1-2-11-4-5(3-6(11)12)9-7(13)10-8/h5H,2-4,8H2,1H3,(H2,9,10,13)
InChIKeyTVQUEDHIZKYSGF-UHFFFAOYSA-N
XLogP-1.05
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 122016506
4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122016510
N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,2-diphenylacetamide
CID 136546634
5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
CID 56863100
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016509
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
CID 125438861
4-[(3,5-dimethylphenyl)methyl]-N-(1-ethyl-5-oxopyrrolidin-3-yl)-3-oxopiperazine-1-carboxamide
CID 122560678
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(1-ethyl-5-oxopyrrolidin-3-yl)urea
CID 46996241
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea?
The IUPAC name of 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea (CID 130847134) is 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea.
What is the SMILES notation for 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea?
The canonical SMILES for 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea is CCN1CC(NC(=S)NN)CC1=O.
What is the InChIKey of 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea?
The InChIKey is TVQUEDHIZKYSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-2-11-4-5(3-6(11)12)9-7(13)10-8/h5H,2-4,8H2,1H3,(H2,9,10,13).
What are the key properties of 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea?
1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea has a molecular weight of 202.28 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea is sourced from PubChem (CID 130847134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).