2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide

C13H9N3O3S — CID 893403

IUPAC2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C13H9N3O3S/c1-16-11(18)8-3-2-7(6-9(8)12(16)19)10(17)15-13-14-4-5-20-13/h2-6H,1H3,(H,14,15,17)
InChIKeySKDVJOKMILDXFD-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.62
Rot. Bonds2

About 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide

2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 893403) has the molecular formula C13H9N3O3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
PubChem CID893403
Molecular FormulaC13H9N3O3S
Molecular Weight287.30 g/mol
Exact Mass287.04
IUPAC Name2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C13H9N3O3S/c1-16-11(18)8-3-2-7(6-9(8)12(16)19)10(17)15-13-14-4-5-20-13/h2-6H,1H3,(H,14,15,17)
InChIKeySKDVJOKMILDXFD-UHFFFAOYSA-N
XLogP1.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide 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

N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
N-(1,3-Thiazol-2-YL)-1-naphthamide
CID 686200
1,3-Dioxo-2-thiazol-2-yl-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 747663
N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 780357
2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CID 45370166
2-{2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473045
2-(3-fluorophenyl)-2-[5-[4-(1-methylpiperidin-4-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 168278413
2-[5-[4-(1-methylpiperidin-4-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 168288146
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide
CID 2233097
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The IUPAC name of 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 893403) is 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O.
What is the InChIKey of 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The InChIKey is SKDVJOKMILDXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S/c1-16-11(18)8-3-2-7(6-9(8)12(16)19)10(17)15-13-14-4-5-20-13/h2-6H,1H3,(H,14,15,17).
What are the key properties of 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide has a molecular weight of 287.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 893403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).