3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C22H26N4O4S — CID 123832326

IUPAC3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(OCc4nc(CN5CCOCC5)cs4)c3C2)C(=O)N1
InChIInChI=1S/C22H26N4O4S/c27-20-5-4-18(22(28)24-20)26-10-15-2-1-3-19(17(15)12-26)30-13-21-23-16(14-31-21)11-25-6-8-29-9-7-25/h1-3,14,18H,4-13H2,(H,24,27,28)
InChIKeyZUYZWIXQRIKSBN-UHFFFAOYSA-N
MW442.54 g/mol
LogP1.68
Rot. Bonds6

About 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 123832326) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID123832326
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(OCc4nc(CN5CCOCC5)cs4)c3C2)C(=O)N1
InChIInChI=1S/C22H26N4O4S/c27-20-5-4-18(22(28)24-20)26-10-15-2-1-3-19(17(15)12-26)30-13-21-23-16(14-31-21)11-25-6-8-29-9-7-25/h1-3,14,18H,4-13H2,(H,24,27,28)
InChIKeyZUYZWIXQRIKSBN-UHFFFAOYSA-N
XLogP1.68
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 163822328
3-[4-[[4-[(3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 134240435
3-[4-(3-aminopropoxy)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175855337
3-[3-oxo-7-[[2,3,6-trideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582876
3-[4-[[6-oxo-4-(thiomorpholin-4-ylmethyl)cyclohexa-2,4-dien-1-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 67363995
3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 146635951
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154689912
CID 144674128
CID 144674128
(3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 149240574
3-[7-[dideuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582872
3-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389274

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 123832326) is 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(OCc4nc(CN5CCOCC5)cs4)c3C2)C(=O)N1.
What is the InChIKey of 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZUYZWIXQRIKSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c27-20-5-4-18(22(28)24-20)26-10-15-2-1-3-19(17(15)12-26)30-13-21-23-16(14-31-21)11-25-6-8-29-9-7-25/h1-3,14,18H,4-13H2,(H,24,27,28).
What are the key properties of 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 442.54 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 123832326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).