2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione

C23H22N4O2S — CID 1250551

IUPAC2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C23H22N4O2S/c28-21-18-8-4-5-9-19(18)22(29)27(21)15-12-25-10-13-26(14-11-25)23-24-20(16-30-23)17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyNIIWABNOFNOZIT-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.23
Rot. Bonds5

About 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 1250551) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID1250551
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C23H22N4O2S/c28-21-18-8-4-5-9-19(18)22(29)27(21)15-12-25-10-13-26(14-11-25)23-24-20(16-30-23)17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyNIIWABNOFNOZIT-UHFFFAOYSA-N
XLogP3.23
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

L 006235
CID 9912381
2-[2-(4-Phenyl-1,3-thiazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 604477
2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1482048
2-{2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473045
4-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 11613136
4-methyl-N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]ethyl]piperazine-1-carboxamide
CID 137642813
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70693117
3-((1,3-Dioxoisoindolin-2-yl)methyl)-7-methyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium iodide
CID 665167
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139334
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139360
2-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473490

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione (CID 1250551) is 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is NIIWABNOFNOZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-21-18-8-4-5-9-19(18)22(29)27(21)15-12-25-10-13-26(14-11-25)23-24-20(16-30-23)17-6-2-1-3-7-17/h1-9,16H,10-15H2.
What are the key properties of 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 418.52 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1250551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).