4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide

C15H13N3O3S — CID 719768

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
InChIInChI=1S/C15H13N3O3S/c19-12(17-15-16-7-9-22-15)6-3-8-18-13(20)10-4-1-2-5-11(10)14(18)21/h1-2,4-5,7,9H,3,6,8H2,(H,16,17,19)
InChIKeyRFORQYKMCQHLLL-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.16
Rot. Bonds5

About 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 719768) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID719768
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
InChIInChI=1S/C15H13N3O3S/c19-12(17-15-16-7-9-22-15)6-3-8-18-13(20)10-4-1-2-5-11(10)14(18)21/h1-2,4-5,7,9H,3,6,8H2,(H,16,17,19)
InChIKeyRFORQYKMCQHLLL-UHFFFAOYSA-N
XLogP2.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)hexanamide
CID 3111817
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 8777159
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 1346778
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
4-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 16630604
6-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(1,3-thiazol-2-yl)hexanamide
CID 99987862
6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)hexanamide
CID 6203272
4-(1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 73403121
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 66491223
methyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]thiophene-2-carboxylate
CID 17426187

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide (CID 719768) is 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is RFORQYKMCQHLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-12(17-15-16-7-9-22-15)6-3-8-18-13(20)10-4-1-2-5-11(10)14(18)21/h1-2,4-5,7,9H,3,6,8H2,(H,16,17,19).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 315.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 719768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).