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

C11H13N3O3S — CID 38163831

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCn1ccs/c1=N\C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C11H13N3O3S/c1-13-6-7-18-11(13)12-8(15)4-5-14-9(16)2-3-10(14)17/h6-7H,2-5H2,1H3/b12-11-
InChIKeyASNGELDUCAQSLT-QXMHVHEDSA-N
MW267.31 g/mol
LogP0.05
Rot. Bonds3

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

3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (PubChem CID 38163831) 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-(3-methyl-1,3-thiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
PubChem CID38163831
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCn1ccs/c1=N\C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C11H13N3O3S/c1-13-6-7-18-11(13)12-8(15)4-5-14-9(16)2-3-10(14)17/h6-7H,2-5H2,1H3/b12-11-
InChIKeyASNGELDUCAQSLT-QXMHVHEDSA-N
XLogP0.05
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.05
H-Bond Donors ≤ 50
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-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (CID 38163831) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is Cn1ccs/c1=N\C(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The InChIKey is ASNGELDUCAQSLT-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-13-6-7-18-11(13)12-8(15)4-5-14-9(16)2-3-10(14)17/h6-7H,2-5H2,1H3/b12-11-.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide has a molecular weight of 267.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is sourced from PubChem (CID 38163831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).