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

C19H14N2O2S — CID 1482048

IUPAC2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H14N2O2S/c22-18-15-8-4-5-9-16(15)19(23)21(18)11-10-14-12-24-17(20-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyBDHKGZANHRLRPV-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.65
Rot. Bonds4

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

2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (PubChem CID 1482048) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
PubChem CID1482048
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H14N2O2S/c22-18-15-8-4-5-9-16(15)19(23)21(18)11-10-14-12-24-17(20-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyBDHKGZANHRLRPV-UHFFFAOYSA-N
XLogP3.65
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (CID 1482048) is 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The InChIKey is BDHKGZANHRLRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18-15-8-4-5-9-16(15)19(23)21(18)11-10-14-12-24-17(20-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2.
What are the key properties of 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione has a molecular weight of 334.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1482048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).