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

C26H19N3O3S — CID 122286196

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H19N3O3S/c1-16(29-25(31)20-12-5-6-13-21(20)26(29)32)23(30)27-19-11-7-10-18(14-19)22-15-33-24(28-22)17-8-3-2-4-9-17/h2-16H,1H3,(H,27,30)/t16-/m0/s1
InChIKeyLMNJHAITMMRCCA-INIZCTEOSA-N
MW453.52 g/mol
LogP5.10
Rot. Bonds5

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

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 122286196) has the molecular formula C26H19N3O3S and a molecular weight of 453.52 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID122286196
Molecular FormulaC26H19N3O3S
Molecular Weight453.52 g/mol
Exact Mass453.11
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H19N3O3S/c1-16(29-25(31)20-12-5-6-13-21(20)26(29)32)23(30)27-19-11-7-10-18(14-19)22-15-33-24(28-22)17-8-3-2-4-9-17/h2-16H,1H3,(H,27,30)/t16-/m0/s1
InChIKeyLMNJHAITMMRCCA-INIZCTEOSA-N
XLogP5.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.10
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-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 46683955
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide
CID 2905444
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086468
1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086466
2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748311
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 122286196) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is C[C@@H](C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is LMNJHAITMMRCCA-INIZCTEOSA-N. The full InChI is InChI=1S/C26H19N3O3S/c1-16(29-25(31)20-12-5-6-13-21(20)26(29)32)23(30)27-19-11-7-10-18(14-19)22-15-33-24(28-22)17-8-3-2-4-9-17/h2-16H,1H3,(H,27,30)/t16-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 453.52 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 122286196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).