2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione

C14H11N3O2S — CID 3974566

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1=CSC2=NCCN12
InChIInChI=1S/C14H11N3O2S/c18-12-10-3-1-2-4-11(10)13(19)17(12)7-9-8-20-14-15-5-6-16(9)14/h1-4,8H,5-7H2
InChIKeyWHRMAGBGLHVIJV-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.54
Rot. Bonds2

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione (PubChem CID 3974566) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione
PubChem CID3974566
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1=CSC2=NCCN12
InChIInChI=1S/C14H11N3O2S/c18-12-10-3-1-2-4-11(10)13(19)17(12)7-9-8-20-14-15-5-6-16(9)14/h1-4,8H,5-7H2
InChIKeyWHRMAGBGLHVIJV-UHFFFAOYSA-N
XLogP1.54
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.54
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-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione (CID 3974566) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC1=CSC2=NCCN12.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione?
The InChIKey is WHRMAGBGLHVIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-12-10-3-1-2-4-11(10)13(19)17(12)7-9-8-20-14-15-5-6-16(9)14/h1-4,8H,5-7H2.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione has a molecular weight of 285.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 3974566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).