(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

C20H17N3O3S — CID 2079722

IUPAC(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESO=C(NC1=NCCS1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H17N3O3S/c24-17(22-20-21-10-11-27-20)16(12-13-6-2-1-3-7-13)23-18(25)14-8-4-5-9-15(14)19(23)26/h1-9,16H,10-12H2,(H,21,22,24)/t16-/m0/s1
InChIKeyUMHTVTDWNHVGRV-INIZCTEOSA-N
MW379.44 g/mol
LogP2.11
Rot. Bonds4

About (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (PubChem CID 2079722) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
PubChem CID2079722
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESO=C(NC1=NCCS1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H17N3O3S/c24-17(22-20-21-10-11-27-20)16(12-13-6-2-1-3-7-13)23-18(25)14-8-4-5-9-15(14)19(23)26/h1-9,16H,10-12H2,(H,21,22,24)/t16-/m0/s1
InChIKeyUMHTVTDWNHVGRV-INIZCTEOSA-N
XLogP2.11
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (CID 2079722) is (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is O=C(NC1=NCCS1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The InChIKey is UMHTVTDWNHVGRV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-17(22-20-21-10-11-27-20)16(12-13-6-2-1-3-7-13)23-18(25)14-8-4-5-9-15(14)19(23)26/h1-9,16H,10-12H2,(H,21,22,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide has a molecular weight of 379.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 2079722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).