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

C11H13N3O3S — CID 18089469

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCN2C(=O)CCC2=O)n1
InChIInChI=1S/C11H13N3O3S/c1-7-6-18-11(12-7)13-8(15)4-5-14-9(16)2-3-10(14)17/h6H,2-5H2,1H3,(H,12,13,15)
InChIKeyAPOGEJPIZIMVIA-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.93
Rot. Bonds4

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

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 18089469) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID18089469
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCN2C(=O)CCC2=O)n1
InChIInChI=1S/C11H13N3O3S/c1-7-6-18-11(12-7)13-8(15)4-5-14-9(16)2-3-10(14)17/h6H,2-5H2,1H3,(H,12,13,15)
InChIKeyAPOGEJPIZIMVIA-UHFFFAOYSA-N
XLogP0.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.93
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 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 18089469) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCN2C(=O)CCC2=O)n1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is APOGEJPIZIMVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-6-18-11(12-7)13-8(15)4-5-14-9(16)2-3-10(14)17/h6H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 267.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 18089469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).