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

C17H17N3O3S — CID 2831706

IUPAC2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H17N3O3S/c1-10(2)9-13(14(21)19-17-18-7-8-24-17)20-15(22)11-5-3-4-6-12(11)16(20)23/h3-8,10,13H,9H2,1-2H3,(H,18,19,21)
InChIKeyIZXCDEWWKJGNOS-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.79
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 2831706) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID2831706
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H17N3O3S/c1-10(2)9-13(14(21)19-17-18-7-8-24-17)20-15(22)11-5-3-4-6-12(11)16(20)23/h3-8,10,13H,9H2,1-2H3,(H,18,19,21)
InChIKeyIZXCDEWWKJGNOS-UHFFFAOYSA-N
XLogP2.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.79
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

2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 700307
2-[5-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 135351555
2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CID 45370166
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-dioxoisoindole-5-carboxamide
CID 2233097
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025
2-(1,3-dioxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide
CID 2787059
2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 4799453
2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 674366
Methyl (5-((1,3-dioxoisoindolin-2-yl)methyl)thiazol-2-yl)carbamate
CID 1252123

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 2831706) is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is CC(C)CC(C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is IZXCDEWWKJGNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10(2)9-13(14(21)19-17-18-7-8-24-17)20-15(22)11-5-3-4-6-12(11)16(20)23/h3-8,10,13H,9H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 343.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 2831706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).