3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide

C16H15N3O3S — CID 51315920

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C16H15N3O3S/c1-10-9-23-14(18-10)8-17-13(20)6-7-19-15(21)11-4-2-3-5-12(11)16(19)22/h2-5,9H,6-8H2,1H3,(H,17,20)
InChIKeyZZUOIHRQBCTRGE-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.75
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 51315920) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID51315920
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C16H15N3O3S/c1-10-9-23-14(18-10)8-17-13(20)6-7-19-15(21)11-4-2-3-5-12(11)16(19)22/h2-5,9H,6-8H2,1H3,(H,17,20)
InChIKeyZZUOIHRQBCTRGE-UHFFFAOYSA-N
XLogP1.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide 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

2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
CID 1497777
3-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714611
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 24525146
3-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346171
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108762342
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55791382
3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 110660366
3-(1,3-dioxoisoindol-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanamide
CID 8917053
2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9324948
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 51315920) is 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1csc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is ZZUOIHRQBCTRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-9-23-14(18-10)8-17-13(20)6-7-19-15(21)11-4-2-3-5-12(11)16(19)22/h2-5,9H,6-8H2,1H3,(H,17,20).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 329.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 51315920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).