2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione

C21H20N2O4S — CID 122331424

IUPAC2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCOc1ccc(C2SCCN2C(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H20N2O4S/c1-13(23-19(25)16-5-3-4-6-17(16)20(23)26)18(24)22-11-12-28-21(22)14-7-9-15(27-2)10-8-14/h3-10,13,21H,11-12H2,1-2H3
InChIKeyINTOPRSDBSDIEL-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione

2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 122331424) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID122331424
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCOc1ccc(C2SCCN2C(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H20N2O4S/c1-13(23-19(25)16-5-3-4-6-17(16)20(23)26)18(24)22-11-12-28-21(22)14-7-9-15(27-2)10-8-14/h3-10,13,21H,11-12H2,1-2H3
InChIKeyINTOPRSDBSDIEL-UHFFFAOYSA-N
XLogP2.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 519849
CID 519849
CID 455089
CID 455089
CID 455122
CID 455122
CID 455126
CID 455126
CID 2815658
CID 2815658
CID 455087
CID 455087
CID 3908953
CID 3908953
CID 4057143
CID 4057143
CID 9129861
CID 9129861
CID 16020805
CID 16020805
CID 33022712
CID 33022712
CID 127029403
CID 127029403

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione (CID 122331424) is 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione is COc1ccc(C2SCCN2C(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is INTOPRSDBSDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-13(23-19(25)16-5-3-4-6-17(16)20(23)26)18(24)22-11-12-28-21(22)14-7-9-15(27-2)10-8-14/h3-10,13,21H,11-12H2,1-2H3.
What are the key properties of 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 396.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 122331424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).