2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione

C18H18N4O3S — CID 23739700

IUPAC2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCN(c2nccs2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N4O3S/c1-12(22-16(24)13-4-2-3-5-14(13)17(22)25)15(23)20-7-9-21(10-8-20)18-19-6-11-26-18/h2-6,11-12H,7-10H2,1H3
InChIKeyFIVOUASXCAOVQC-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.48
Rot. Bonds3

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

2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione (PubChem CID 23739700) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
PubChem CID23739700
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCN(c2nccs2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N4O3S/c1-12(22-16(24)13-4-2-3-5-14(13)17(22)25)15(23)20-7-9-21(10-8-20)18-19-6-11-26-18/h2-6,11-12H,7-10H2,1H3
InChIKeyFIVOUASXCAOVQC-UHFFFAOYSA-N
XLogP1.48
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.48
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

2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione
CID 108763935
2-[(2R)-1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 1240265
N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 42932037
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578
2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 24708603
2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 23738645
2-[(2R)-1-[13-[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7073934
2-[1-oxo-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 108533130
1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 48504627
4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 51289843
3-amino-2-methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 120503344

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione (CID 23739700) is 2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione is CC(C(=O)N1CCN(c2nccs2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione?
The InChIKey is FIVOUASXCAOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12(22-16(24)13-4-2-3-5-14(13)17(22)25)15(23)20-7-9-21(10-8-20)18-19-6-11-26-18/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione?
2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione has a molecular weight of 370.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 23739700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).