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

C18H13N3O2S — CID 1473463

IUPAC2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(-c2cccnc2)n1
InChIInChI=1S/C18H13N3O2S/c22-17-14-5-1-2-6-15(14)18(23)21(17)9-7-13-11-24-16(20-13)12-4-3-8-19-10-12/h1-6,8,10-11H,7,9H2
InChIKeyLZBVYQLDAPTWFK-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.04
Rot. Bonds4

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

2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (PubChem CID 1473463) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
PubChem CID1473463
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(-c2cccnc2)n1
InChIInChI=1S/C18H13N3O2S/c22-17-14-5-1-2-6-15(14)18(23)21(17)9-7-13-11-24-16(20-13)12-4-3-8-19-10-12/h1-6,8,10-11H,7,9H2
InChIKeyLZBVYQLDAPTWFK-UHFFFAOYSA-N
XLogP3.04
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.04
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-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (CID 1473463) is 2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1csc(-c2cccnc2)n1.
What is the InChIKey of 2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The InChIKey is LZBVYQLDAPTWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-17-14-5-1-2-6-15(14)18(23)21(17)9-7-13-11-24-16(20-13)12-4-3-8-19-10-12/h1-6,8,10-11H,7,9H2.
What are the key properties of 2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione has a molecular weight of 335.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1473463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).