3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

C22H16N4O3S — CID 2999437

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C22H16N4O3S/c27-19(9-10-26-20(28)16-3-1-2-4-17(16)21(26)29)23-15-7-5-14(6-8-15)18-13-25-11-12-30-22(25)24-18/h1-8,11-13H,9-10H2,(H,23,27)
InChIKeyXIKNXKGWUDXLFC-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.69
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (PubChem CID 2999437) has the molecular formula C22H16N4O3S and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
PubChem CID2999437
Molecular FormulaC22H16N4O3S
Molecular Weight416.46 g/mol
Exact Mass416.09
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C22H16N4O3S/c27-19(9-10-26-20(28)16-3-1-2-4-17(16)21(26)29)23-15-7-5-14(6-8-15)18-13-25-11-12-30-22(25)24-18/h1-8,11-13H,9-10H2,(H,23,27)
InChIKeyXIKNXKGWUDXLFC-UHFFFAOYSA-N
XLogP3.69
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (CID 2999437) is 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The InChIKey is XIKNXKGWUDXLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3S/c27-19(9-10-26-20(28)16-3-1-2-4-17(16)21(26)29)23-15-7-5-14(6-8-15)18-13-25-11-12-30-22(25)24-18/h1-8,11-13H,9-10H2,(H,23,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide has a molecular weight of 416.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is sourced from PubChem (CID 2999437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).