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

C22H19N3O3S — CID 108760341

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1ccccc1-c1nc(CNC(=O)C(C)N2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C22H19N3O3S/c1-13-7-3-4-8-16(13)20-24-15(12-29-20)11-23-19(26)14(2)25-21(27)17-9-5-6-10-18(17)22(25)28/h3-10,12,14H,11H2,1-2H3,(H,23,26)
InChIKeyNTXWYWODQGAULE-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.42
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 108760341) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID108760341
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1ccccc1-c1nc(CNC(=O)C(C)N2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C22H19N3O3S/c1-13-7-3-4-8-16(13)20-24-15(12-29-20)11-23-19(26)14(2)25-21(27)17-9-5-6-10-18(17)22(25)28/h3-10,12,14H,11H2,1-2H3,(H,23,26)
InChIKeyNTXWYWODQGAULE-UHFFFAOYSA-N
XLogP3.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.42
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-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 110443001
2-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenylpropanamide
CID 108760210
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518
(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46797593
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanamide
CID 108760206
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 108737407
2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 2926881
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 8003176

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide (CID 108760341) is 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide is Cc1ccccc1-c1nc(CNC(=O)C(C)N2C(=O)c3ccccc3C2=O)cs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is NTXWYWODQGAULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-13-7-3-4-8-16(13)20-24-15(12-29-20)11-23-19(26)14(2)25-21(27)17-9-5-6-10-18(17)22(25)28/h3-10,12,14H,11H2,1-2H3,(H,23,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 405.48 g/mol, XLogP of 3.42, 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)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 108760341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).