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

C16H13N3O2S — CID 68761163

IUPAC2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione
SMILESCCC(c1cn2ccsc2n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H13N3O2S/c1-2-13(12-9-18-7-8-22-16(18)17-12)19-14(20)10-5-3-4-6-11(10)15(19)21/h3-9,13H,2H2,1H3
InChIKeyNWQBDHMSVSTEAS-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.14
Rot. Bonds3

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

2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione (PubChem CID 68761163) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione
PubChem CID68761163
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione
SMILESCCC(c1cn2ccsc2n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H13N3O2S/c1-2-13(12-9-18-7-8-22-16(18)17-12)19-14(20)10-5-3-4-6-11(10)15(19)21/h3-9,13H,2H2,1H3
InChIKeyNWQBDHMSVSTEAS-UHFFFAOYSA-N
XLogP3.14
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.14
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-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione (CID 68761163) is 2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione is CCC(c1cn2ccsc2n1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione?
The InChIKey is NWQBDHMSVSTEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-2-13(12-9-18-7-8-22-16(18)17-12)19-14(20)10-5-3-4-6-11(10)15(19)21/h3-9,13H,2H2,1H3.
What are the key properties of 2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione?
2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione has a molecular weight of 311.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 68761163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).