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

C22H13N3O2S — CID 168518992

IUPAC2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C22H13N3O2S/c26-21-17-8-1-2-9-18(17)22(27)25(21)16-7-3-5-14(11-16)19-13-28-20(24-19)15-6-4-10-23-12-15/h1-13H
InChIKeyGUYJKKBZIFVXLD-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.67
Rot. Bonds3

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

2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione (PubChem CID 168518992) has the molecular formula C22H13N3O2S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
PubChem CID168518992
Molecular FormulaC22H13N3O2S
Molecular Weight383.43 g/mol
Exact Mass383.07
IUPAC Name2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C22H13N3O2S/c26-21-17-8-1-2-9-18(17)22(27)25(21)16-7-3-5-14(11-16)19-13-28-20(24-19)15-6-4-10-23-12-15/h1-13H
InChIKeyGUYJKKBZIFVXLD-UHFFFAOYSA-N
XLogP4.67
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione (CID 168518992) is 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(-c2csc(-c3cccnc3)n2)c1.
What is the InChIKey of 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
The InChIKey is GUYJKKBZIFVXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O2S/c26-21-17-8-1-2-9-18(17)22(27)25(21)16-7-3-5-14(11-16)19-13-28-20(24-19)15-6-4-10-23-12-15/h1-13H.
What are the key properties of 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione has a molecular weight of 383.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168518992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).