1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea

C14H19N3OS — CID 8716486

IUPAC1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H19N3OS/c1-2-9-15-14(19)16-11-5-7-12(8-6-11)17-10-3-4-13(17)18/h5-8H,2-4,9-10H2,1H3,(H2,15,16,19)
InChIKeyREVVXZFNXMWVMV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.51
Rot. Bonds4

About 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea

1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea (PubChem CID 8716486) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea
PubChem CID8716486
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H19N3OS/c1-2-9-15-14(19)16-11-5-7-12(8-6-11)17-10-3-4-13(17)18/h5-8H,2-4,9-10H2,1H3,(H2,15,16,19)
InChIKeyREVVXZFNXMWVMV-UHFFFAOYSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.51
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-ethyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 8716477
1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100758057
1-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-3-propylthiourea
CID 8981475
methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790197
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100749288
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100750010
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-butyl-3-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 43076606
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100748204
1-[(1S)-3-methyl-1-phenylbutyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100654739
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100757700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea?
The IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea (CID 8716486) is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea.
What is the SMILES notation for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea?
The canonical SMILES for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea is CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea?
The InChIKey is REVVXZFNXMWVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-9-15-14(19)16-11-5-7-12(8-6-11)17-10-3-4-13(17)18/h5-8H,2-4,9-10H2,1H3,(H2,15,16,19).
What are the key properties of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea?
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea has a molecular weight of 277.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea is sourced from PubChem (CID 8716486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).