1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione

C15H12FN3O2S — CID 2816712

IUPAC1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione
SMILESO=C1CN(c2ccccc2F)C(=O)CN1N=Cc1cccs1
InChIInChI=1S/C15H12FN3O2S/c16-12-5-1-2-6-13(12)18-9-15(21)19(10-14(18)20)17-8-11-4-3-7-22-11/h1-8H,9-10H2
InChIKeyKKDYBJBWTOAZGO-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.10
Rot. Bonds3

About 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione

1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione (PubChem CID 2816712) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione
PubChem CID2816712
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione
SMILESO=C1CN(c2ccccc2F)C(=O)CN1N=Cc1cccs1
InChIInChI=1S/C15H12FN3O2S/c16-12-5-1-2-6-13(12)18-9-15(21)19(10-14(18)20)17-8-11-4-3-7-22-11/h1-8H,9-10H2
InChIKeyKKDYBJBWTOAZGO-UHFFFAOYSA-N
XLogP2.10
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione 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-(2-Fluorophenyl)-4-[3-(2-thienyl)acryloyl]piperazine
CID 845054
1-(4-Fluorophenyl)-4-[3-(2-thienyl)acryloyl]piperazine
CID 840243
1,5-Dimethyl-2-phenyl-4-[(2-thienylmethylene)amino]-1,2-dihydro-3H-pyrazol-3-one
CID 710110
N-(4-fluorophenyl)-4-oxo-4-[2-(2-thienylmethylene)hydrazino]butanamide
CID 6895302
6-{2-[4-(2-Fluorophenyl)piperazin-1-YL]-2-oxoethyl}-6H,7H-thieno[2,3-D]pyridazin-7-one
CID 16010193
4-phenyl-N-(2-thienylmethylene)-1-piperazinamine
CID 5402583
1-(2-fluorophenyl)-4-[(Z)-thiophen-2-ylmethylideneamino]piperazine-2,5-dione
CID 5714981
N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 7659576
1-(2-fluorophenyl)-4-[(E)-thiophen-2-ylmethylideneamino]piperazine-2,5-dione
CID 9584011
6-{2-[4-(4-Fluorophenyl)piperazin-1-YL]-2-oxoethyl}-6H,7H-thieno[2,3-D]pyridazin-7-one
CID 16010197
6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyridazin-7(6H)-one
CID 16010199
2-{4-[4-(p-fluorophenyl)-1-piperazinyl]-4-oxobutyl}-6-(2-thienyl)-3(2H)-pyridazinone
CID 25854435

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione?
The IUPAC name of 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione (CID 2816712) is 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione?
The canonical SMILES for 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione is O=C1CN(c2ccccc2F)C(=O)CN1N=Cc1cccs1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione?
The InChIKey is KKDYBJBWTOAZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-12-5-1-2-6-13(12)18-9-15(21)19(10-14(18)20)17-8-11-4-3-7-22-11/h1-8H,9-10H2.
What are the key properties of 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione?
1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione has a molecular weight of 317.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(thiophen-2-ylmethylideneamino)piperazine-2,5-dione is sourced from PubChem (CID 2816712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).