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

C12H13N3O4S — CID 2330063

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)CN2C(=O)CCC2=O)nc1C
InChIInChI=1S/C12H13N3O4S/c1-6-11(7(2)16)20-12(13-6)14-8(17)5-15-9(18)3-4-10(15)19/h3-5H2,1-2H3,(H,13,14,17)
InChIKeyOPAIMJAOVSGURT-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.74
Rot. Bonds4

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 2330063) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID2330063
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)CN2C(=O)CCC2=O)nc1C
InChIInChI=1S/C12H13N3O4S/c1-6-11(7(2)16)20-12(13-6)14-8(17)5-15-9(18)3-4-10(15)19/h3-5H2,1-2H3,(H,13,14,17)
InChIKeyOPAIMJAOVSGURT-UHFFFAOYSA-N
XLogP0.74
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.74
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 N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 2330063) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is CC(=O)c1sc(NC(=O)CN2C(=O)CCC2=O)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is OPAIMJAOVSGURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-6-11(7(2)16)20-12(13-6)14-8(17)5-15-9(18)3-4-10(15)19/h3-5H2,1-2H3,(H,13,14,17).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 295.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2330063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).