3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one

C13H15N3O3S — CID 125432507

IUPAC3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(Nc2cccc(N3CCCS3(=O)=O)c2)CN1
InChIInChI=1S/C13H15N3O3S/c17-13-8-11(9-14-13)15-10-3-1-4-12(7-10)16-5-2-6-20(16,18)19/h1,3-4,7-8,15H,2,5-6,9H2,(H,14,17)
InChIKeyFUHPFCUDADARSU-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.65
Rot. Bonds3

About 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one

3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one (PubChem CID 125432507) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one
PubChem CID125432507
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(Nc2cccc(N3CCCS3(=O)=O)c2)CN1
InChIInChI=1S/C13H15N3O3S/c17-13-8-11(9-14-13)15-10-3-1-4-12(7-10)16-5-2-6-20(16,18)19/h1,3-4,7-8,15H,2,5-6,9H2,(H,14,17)
InChIKeyFUHPFCUDADARSU-UHFFFAOYSA-N
XLogP0.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclopentanesulfonamide
CID 110302255
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 22689961
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
CID 120985942
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline
CID 110621354
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
CID 45493330
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483167
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one (CID 125432507) is 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one is O=C1C=C(Nc2cccc(N3CCCS3(=O)=O)c2)CN1.
What is the InChIKey of 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one?
The InChIKey is FUHPFCUDADARSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-13-8-11(9-14-13)15-10-3-1-4-12(7-10)16-5-2-6-20(16,18)19/h1,3-4,7-8,15H,2,5-6,9H2,(H,14,17).
What are the key properties of 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one?
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one has a molecular weight of 293.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 125432507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).