3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H26N4O4S — CID 163822328

IUPAC3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CCc4nc(CN5CCOCC5)cs4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C23H26N4O4S/c28-20-6-5-19(22(29)25-20)27-13-18-15(2-1-3-17(18)23(27)30)4-7-21-24-16(14-32-21)12-26-8-10-31-11-9-26/h1-3,14,19H,4-13H2,(H,25,28,29)
InChIKeyNWLRSIIJFCDNLJ-UHFFFAOYSA-N
MW454.55 g/mol
LogP1.52
Rot. Bonds6

About 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 163822328) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID163822328
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CCc4nc(CN5CCOCC5)cs4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C23H26N4O4S/c28-20-6-5-19(22(29)25-20)27-13-18-15(2-1-3-17(18)23(27)30)4-7-21-24-16(14-32-21)12-26-8-10-31-11-9-26/h1-3,14,19H,4-13H2,(H,25,28,29)
InChIKeyNWLRSIIJFCDNLJ-UHFFFAOYSA-N
XLogP1.52
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154689912
3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 123832326
3-[7-[[4-(azepin-1-ylmethyl)-1,3-thiazol-2-yl]methylsulfanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175080643
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
(3R)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159987516
3-[7-[3-[2-[3-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149278520
3-[7-(4-bromobutyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155292459
3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715818
3-[7-[[4-(4-aminophenyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740428
3-[7-[deuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582868
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739192

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(CCc4nc(CN5CCOCC5)cs4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NWLRSIIJFCDNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c28-20-6-5-19(22(29)25-20)27-13-18-15(2-1-3-17(18)23(27)30)4-7-21-24-16(14-32-21)12-26-8-10-31-11-9-26/h1-3,14,19H,4-13H2,(H,25,28,29).
What are the key properties of 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 454.55 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 163822328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).