2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione

C17H19N3O2S — CID 95901390

IUPAC2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione
SMILESCC[C@](C)(NCCN1C(=O)c2ccccc2C1=O)c1nccs1
InChIInChI=1S/C17H19N3O2S/c1-3-17(2,16-18-9-11-23-16)19-8-10-20-14(21)12-6-4-5-7-13(12)15(20)22/h4-7,9,11,19H,3,8,10H2,1-2H3/t17-/m0/s1
InChIKeyWFOUAWHPVJAUGR-KRWDZBQOSA-N
MW329.42 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione

2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione (PubChem CID 95901390) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione
PubChem CID95901390
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione
SMILESCC[C@](C)(NCCN1C(=O)c2ccccc2C1=O)c1nccs1
InChIInChI=1S/C17H19N3O2S/c1-3-17(2,16-18-9-11-23-16)19-8-10-20-14(21)12-6-4-5-7-13(12)15(20)22/h4-7,9,11,19H,3,8,10H2,1-2H3/t17-/m0/s1
InChIKeyWFOUAWHPVJAUGR-KRWDZBQOSA-N
XLogP2.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868953
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]-3,3-dimethylbutanoic acid
CID 68771693
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 27805492
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione
CID 23827824
2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione
CID 174265300
5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione
CID 106674920
3-anilino-3-(1,3-thiazol-2-yl)butanamide
CID 170171365

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione (CID 95901390) is 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione is CC[C@](C)(NCCN1C(=O)c2ccccc2C1=O)c1nccs1.
What is the InChIKey of 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione?
The InChIKey is WFOUAWHPVJAUGR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-17(2,16-18-9-11-23-16)19-8-10-20-14(21)12-6-4-5-7-13(12)15(20)22/h4-7,9,11,19H,3,8,10H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione?
2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione has a molecular weight of 329.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 95901390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).