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

C14H12N4O3S — CID 4123400

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H12N4O3S/c19-11(7-18-12(20)4-5-13(18)21)17-14-16-10(8-22-14)9-3-1-2-6-15-9/h1-3,6,8H,4-5,7H2,(H,16,17,19)
InChIKeyDFOFJHSDHDLNCY-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.29
Rot. Bonds4

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

2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4123400) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4123400
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H12N4O3S/c19-11(7-18-12(20)4-5-13(18)21)17-14-16-10(8-22-14)9-3-1-2-6-15-9/h1-3,6,8H,4-5,7H2,(H,16,17,19)
InChIKeyDFOFJHSDHDLNCY-UHFFFAOYSA-N
XLogP1.29
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.29
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 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 4123400) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DFOFJHSDHDLNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c19-11(7-18-12(20)4-5-13(18)21)17-14-16-10(8-22-14)9-3-1-2-6-15-9/h1-3,6,8H,4-5,7H2,(H,16,17,19).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4123400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).