N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide

C19H15F3N4O4S — CID 166425817

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C1CCC(N2Cc3ccc(NC(=O)Cc4csc(C(F)(F)F)n4)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H15F3N4O4S/c20-19(21,22)18-24-11(8-31-18)6-15(28)23-10-2-1-9-7-26(17(30)12(9)5-10)13-3-4-14(27)25-16(13)29/h1-2,5,8,13H,3-4,6-7H2,(H,23,28)(H,25,27,29)
InChIKeyWZALBDQZBCEISG-UHFFFAOYSA-N
MW452.41 g/mol
LogP2.10
Rot. Bonds4

About N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide

N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 166425817) has the molecular formula C19H15F3N4O4S and a molecular weight of 452.41 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID166425817
Molecular FormulaC19H15F3N4O4S
Molecular Weight452.41 g/mol
Exact Mass452.08
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C1CCC(N2Cc3ccc(NC(=O)Cc4csc(C(F)(F)F)n4)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H15F3N4O4S/c20-19(21,22)18-24-11(8-31-18)6-15(28)23-10-2-1-9-7-26(17(30)12(9)5-10)13-3-4-14(27)25-16(13)29/h1-2,5,8,13H,3-4,6-7H2,(H,23,28)(H,25,27,29)
InChIKeyWZALBDQZBCEISG-UHFFFAOYSA-N
XLogP2.10
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]acetamide
CID 156502027
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 156501754
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-methylacetamide
CID 166074434
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[4-fluoro-3-(trifluoromethoxy)phenyl]propanamide
CID 166074515
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(1H-indol-2-yl)acetamide
CID 177188173
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide
CID 156528080
3-[5-[[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740918
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 166425804
2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
CID 175806262

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide (CID 166425817) is N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide is O=C1CCC(N2Cc3ccc(NC(=O)Cc4csc(C(F)(F)F)n4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is WZALBDQZBCEISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O4S/c20-19(21,22)18-24-11(8-31-18)6-15(28)23-10-2-1-9-7-26(17(30)12(9)5-10)13-3-4-14(27)25-16(13)29/h1-2,5,8,13H,3-4,6-7H2,(H,23,28)(H,25,27,29).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 452.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 166425817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).