4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide

C14H11N3O3S — CID 746005

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H11N3O3S/c18-11-5-6-12(19)17(11)10-3-1-9(2-4-10)13(20)16-14-15-7-8-21-14/h1-4,7-8H,5-6H2,(H,15,16,20)
InChIKeyWXECFKGEINUGKU-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.05
Rot. Bonds3

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 746005) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID746005
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H11N3O3S/c18-11-5-6-12(19)17(11)10-3-1-9(2-4-10)13(20)16-14-15-7-8-21-14/h1-4,7-8H,5-6H2,(H,15,16,20)
InChIKeyWXECFKGEINUGKU-UHFFFAOYSA-N
XLogP2.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.05
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 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide (CID 746005) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WXECFKGEINUGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-11-5-6-12(19)17(11)10-3-1-9(2-4-10)13(20)16-14-15-7-8-21-14/h1-4,7-8H,5-6H2,(H,15,16,20).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 301.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 746005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).