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

C14H11N3O3S — CID 2200051

IUPAC2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C14H11N3O3S/c1-2-17-12(19)9-4-3-8(7-10(9)13(17)20)11(18)16-14-15-5-6-21-14/h3-7H,2H2,1H3,(H,15,16,18)
InChIKeyAJXRUVMORFOWFQ-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.01
Rot. Bonds3

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

2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 2200051) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
PubChem CID2200051
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C14H11N3O3S/c1-2-17-12(19)9-4-3-8(7-10(9)13(17)20)11(18)16-14-15-5-6-21-14/h3-7H,2H2,1H3,(H,15,16,18)
InChIKeyAJXRUVMORFOWFQ-UHFFFAOYSA-N
XLogP2.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The IUPAC name of 2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 2200051) is 2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is CCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O.
What is the InChIKey of 2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The InChIKey is AJXRUVMORFOWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-2-17-12(19)9-4-3-8(7-10(9)13(17)20)11(18)16-14-15-5-6-21-14/h3-7H,2H2,1H3,(H,15,16,18).
What are the key properties of 2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 2200051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).