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

C17H17N3O3S — CID 71811114

IUPAC2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(N2CCOCC2)n1
InChIInChI=1S/C17H17N3O3S/c21-15-13-3-1-2-4-14(13)16(22)20(15)6-5-12-11-24-17(18-12)19-7-9-23-10-8-19/h1-4,11H,5-10H2
InChIKeyGJRKIDLZWBGHBD-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.82
Rot. Bonds4

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

2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (PubChem CID 71811114) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
PubChem CID71811114
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(N2CCOCC2)n1
InChIInChI=1S/C17H17N3O3S/c21-15-13-3-1-2-4-14(13)16(22)20(15)6-5-12-11-24-17(18-12)19-7-9-23-10-8-19/h1-4,11H,5-10H2
InChIKeyGJRKIDLZWBGHBD-UHFFFAOYSA-N
XLogP1.82
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (CID 71811114) is 2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1csc(N2CCOCC2)n1.
What is the InChIKey of 2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The InChIKey is GJRKIDLZWBGHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-15-13-3-1-2-4-14(13)16(22)20(15)6-5-12-11-24-17(18-12)19-7-9-23-10-8-19/h1-4,11H,5-10H2.
What are the key properties of 2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione has a molecular weight of 343.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 71811114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).