1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea

C13H17N3OS — CID 759774

IUPAC1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea
SMILESO=C1CCCN1CCNC(=S)Nc1ccccc1
InChIInChI=1S/C13H17N3OS/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
InChIKeyOZMAFADSXYBINI-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.60
Rot. Bonds4

About 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea

1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea (PubChem CID 759774) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea
PubChem CID759774
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea
SMILESO=C1CCCN1CCNC(=S)Nc1ccccc1
InChIInChI=1S/C13H17N3OS/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
InChIKeyOZMAFADSXYBINI-UHFFFAOYSA-N
XLogP1.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
3-Phenylimidazolidine-2,4-dione
CID 227930
Phenylthiohydantoin
CID 700731
N-phenylpyrrolidine-1-carboxamide
CID 791811
1-Phenylimidazolidine-2,4-dione
CID 570576
5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one
CID 2872023
1-Phenylimidazolidin-2-one
CID 255273
5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one
CID 2872314
5-Methyl-3-phenylimidazolidine-2,4-dione
CID 5146782
1-(3-Chloro-4-fluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2239323
N-Phenylpiracetam
CID 911019
1-Butyl-3-phenyl-2-thioxoimidazolidine-4,5-dione
CID 1777829

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea?
The IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea (CID 759774) is 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea.
What is the SMILES notation for 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea?
The canonical SMILES for 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea is O=C1CCCN1CCNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea?
The InChIKey is OZMAFADSXYBINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18).
What are the key properties of 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea?
1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea has a molecular weight of 263.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea is sourced from PubChem (CID 759774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).