2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide

C20H15N3O3S — CID 2905444

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide
SMILESCC(C(=O)Nc1cnc(-c2ccccc2)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H15N3O3S/c1-12(23-19(25)14-9-5-6-10-15(14)20(23)26)17(24)22-16-11-21-18(27-16)13-7-3-2-4-8-13/h2-12H,1H3,(H,22,24)
InChIKeyWTRQNKABRWYFQR-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.43
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide (PubChem CID 2905444) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide
PubChem CID2905444
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide
SMILESCC(C(=O)Nc1cnc(-c2ccccc2)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H15N3O3S/c1-12(23-19(25)14-9-5-6-10-15(14)20(23)26)17(24)22-16-11-21-18(27-16)13-7-3-2-4-8-13/h2-12H,1H3,(H,22,24)
InChIKeyWTRQNKABRWYFQR-UHFFFAOYSA-N
XLogP3.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.43
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-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286196
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide
CID 132534872
(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 96510144
1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea
CID 97341252
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
CID 177178914
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46797593
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 94017800
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide (CID 2905444) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide is CC(C(=O)Nc1cnc(-c2ccccc2)s1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is WTRQNKABRWYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12(23-19(25)14-9-5-6-10-15(14)20(23)26)17(24)22-16-11-21-18(27-16)13-7-3-2-4-8-13/h2-12H,1H3,(H,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 377.43 g/mol, XLogP of 3.43, 4 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-phenyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 2905444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).