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

C13H11N3O3S2 — CID 2337188

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C13H11N3O3S2/c17-10(6-16-11(18)3-4-12(16)19)15-13-14-8(7-21-13)9-2-1-5-20-9/h1-2,5,7H,3-4,6H2,(H,14,15,17)
InChIKeyBMMQNMVPEKDFMH-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.96
Rot. Bonds4

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

2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 2337188) has the molecular formula C13H11N3O3S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID2337188
Molecular FormulaC13H11N3O3S2
Molecular Weight321.38 g/mol
Exact Mass321.02
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C13H11N3O3S2/c17-10(6-16-11(18)3-4-12(16)19)15-13-14-8(7-21-13)9-2-1-5-20-9/h1-2,5,7H,3-4,6H2,(H,14,15,17)
InChIKeyBMMQNMVPEKDFMH-UHFFFAOYSA-N
XLogP1.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 36668177
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31510009
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 3279249
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 959115
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 18131241
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 112763372
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2359661
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2474420
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
2-(4-oxoquinazolin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2567187
2-naphthalen-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 16849310
2-(3,4-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915774

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 2337188) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BMMQNMVPEKDFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S2/c17-10(6-16-11(18)3-4-12(16)19)15-13-14-8(7-21-13)9-2-1-5-20-9/h1-2,5,7H,3-4,6H2,(H,14,15,17).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.96, 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-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2337188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).