2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione

C12H8N2O3S — CID 139614682

IUPAC2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1c[nH]c(=O)s1
InChIInChI=1S/C12H8N2O3S/c15-10-8-3-1-2-4-9(8)11(16)14(10)6-7-5-13-12(17)18-7/h1-5H,6H2,(H,13,17)
InChIKeyRLPUKVBIXYEVCT-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.23
Rot. Bonds2

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

2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione (PubChem CID 139614682) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione
PubChem CID139614682
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1c[nH]c(=O)s1
InChIInChI=1S/C12H8N2O3S/c15-10-8-3-1-2-4-9(8)11(16)14(10)6-7-5-13-12(17)18-7/h1-5H,6H2,(H,13,17)
InChIKeyRLPUKVBIXYEVCT-UHFFFAOYSA-N
XLogP1.23
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-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

2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]isoindole-1,3-dione
CID 84818744
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione
CID 162374915
2-[(2,5-dibromothiophen-3-yl)methyl]isoindole-1,3-dione
CID 10692408
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione
CID 1485462
2-[[3-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
CID 15417918
2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]isoindole-1,3-dione
CID 80613793
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione (CID 139614682) is 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1c[nH]c(=O)s1.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione?
The InChIKey is RLPUKVBIXYEVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c15-10-8-3-1-2-4-9(8)11(16)14(10)6-7-5-13-12(17)18-7/h1-5H,6H2,(H,13,17).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione?
2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione has a molecular weight of 260.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 139614682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).