2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione

C15H11N3O2S — CID 591843

IUPAC2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1cn2ccsc2n1
InChIInChI=1S/C15H11N3O2S/c19-13-11-3-1-2-4-12(11)14(20)18(13)6-5-10-9-17-7-8-21-15(17)16-10/h1-4,7-9H,5-6H2
InChIKeyBZANTPQLMVKYEA-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.23
Rot. Bonds3

About 2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione

2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione (PubChem CID 591843) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione
PubChem CID591843
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1cn2ccsc2n1
InChIInChI=1S/C15H11N3O2S/c19-13-11-3-1-2-4-12(11)14(20)18(13)6-5-10-9-17-7-8-21-15(17)16-10/h1-4,7-9H,5-6H2
InChIKeyBZANTPQLMVKYEA-UHFFFAOYSA-N
XLogP2.23
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.23
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-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione (CID 591843) is 2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1cn2ccsc2n1.
What is the InChIKey of 2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione?
The InChIKey is BZANTPQLMVKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-13-11-3-1-2-4-12(11)14(20)18(13)6-5-10-9-17-7-8-21-15(17)16-10/h1-4,7-9H,5-6H2.
What are the key properties of 2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione?
2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione has a molecular weight of 297.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 591843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).