2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione

C17H18N4O2S — CID 1481669

IUPAC2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione
SMILESCN1CCN(c2ncc(CN3C(=O)c4ccccc4C3=O)s2)CC1
InChIInChI=1S/C17H18N4O2S/c1-19-6-8-20(9-7-19)17-18-10-12(24-17)11-21-15(22)13-4-2-3-5-14(13)16(21)23/h2-5,10H,6-9,11H2,1H3
InChIKeyXNSRXAUWMPBTPF-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.69
Rot. Bonds3

About 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione

2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione (PubChem CID 1481669) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione
PubChem CID1481669
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione
SMILESCN1CCN(c2ncc(CN3C(=O)c4ccccc4C3=O)s2)CC1
InChIInChI=1S/C17H18N4O2S/c1-19-6-8-20(9-7-19)17-18-10-12(24-17)11-21-15(22)13-4-2-3-5-14(13)16(21)23/h2-5,10H,6-9,11H2,1H3
InChIKeyXNSRXAUWMPBTPF-UHFFFAOYSA-N
XLogP1.69
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 2233097
2-(1,3-dioxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide
CID 2787059
Methyl (5-((1,3-dioxoisoindolin-2-yl)methyl)thiazol-2-yl)carbamate
CID 1252123
3-{2-[4-(4,5-Dimethyl-thiazol-2-yl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9820085
MF-152
CID 11973722
2-{[2-(4-phenylpiperazino)-1,3-thiazol-5-yl]methyl}-1H-isoindole-1,3(2H)-dione
CID 1485462
N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2976916
N,4-dimethyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]benzamide;dihydrobromide
CID 76316806
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]benzamide;dihydrobromide
CID 76334967
6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide
CID 655385
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603
2-(1,3-dioxoisoindolin-2-yl)-4-methyl-N-(thiazol-2-yl)pentanamide
CID 2831706

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione (CID 1481669) is 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione is CN1CCN(c2ncc(CN3C(=O)c4ccccc4C3=O)s2)CC1.
What is the InChIKey of 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione?
The InChIKey is XNSRXAUWMPBTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-19-6-8-20(9-7-19)17-18-10-12(24-17)11-21-15(22)13-4-2-3-5-14(13)16(21)23/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione?
2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 342.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 1481669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).