2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C19H13N3O3S — CID 980409

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H13N3O3S/c23-16(10-22-17(24)13-8-4-5-9-14(13)18(22)25)21-19-20-15(11-26-19)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,21,23)
InChIKeyXSBKSDVKQKXEJX-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.04
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 980409) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID980409
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H13N3O3S/c23-16(10-22-17(24)13-8-4-5-9-14(13)18(22)25)21-19-20-15(11-26-19)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,21,23)
InChIKeyXSBKSDVKQKXEJX-UHFFFAOYSA-N
XLogP3.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
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-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 980409) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XSBKSDVKQKXEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-16(10-22-17(24)13-8-4-5-9-14(13)18(22)25)21-19-20-15(11-26-19)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 980409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).