2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide

C20H16N4O3S — CID 2787785

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C20H16N4O3S/c1-12-22-23-20(28-12)21-17(25)16(11-13-7-3-2-4-8-13)24-18(26)14-9-5-6-10-15(14)19(24)27/h2-10,16H,11H2,1H3,(H,21,23,25)
InChIKeyWFGYUMMNQUKCDG-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.69
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (PubChem CID 2787785) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
PubChem CID2787785
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C20H16N4O3S/c1-12-22-23-20(28-12)21-17(25)16(11-13-7-3-2-4-8-13)24-18(26)14-9-5-6-10-15(14)19(24)27/h2-10,16H,11H2,1H3,(H,21,23,25)
InChIKeyWFGYUMMNQUKCDG-UHFFFAOYSA-N
XLogP2.69
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2955149
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 94017800
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 4005296
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19197245
(2R)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 985938
2-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenylpropanamide
CID 108760210
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19177049
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoic acid
CID 1272939
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-phenylpropanamide
CID 1076059
(2S)-N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1181271
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CID 2787785) is 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is Cc1nnc(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is WFGYUMMNQUKCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-12-22-23-20(28-12)21-17(25)16(11-13-7-3-2-4-8-13)24-18(26)14-9-5-6-10-15(14)19(24)27/h2-10,16H,11H2,1H3,(H,21,23,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 392.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 2787785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).