N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

C28H35N5O5S — CID 156792089

IUPACN-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(OCCCCCCNC(=O)c4cnc(N5CCCCC5)s4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C28H35N5O5S/c34-24-11-10-22(25(35)31-24)33-18-19-16-20(8-9-21(19)27(33)37)38-15-7-2-1-4-12-29-26(36)23-17-30-28(39-23)32-13-5-3-6-14-32/h8-9,16-17,22H,1-7,10-15,18H2,(H,29,36)(H,31,34,35)
InChIKeyGKARVBVUNJMYQL-UHFFFAOYSA-N
MW553.69 g/mol
LogP3.26
Rot. Bonds11

About N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 156792089) has the molecular formula C28H35N5O5S and a molecular weight of 553.69 g/mol. Its IUPAC name is N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID156792089
Molecular FormulaC28H35N5O5S
Molecular Weight553.69 g/mol
Exact Mass553.24
IUPAC NameN-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(OCCCCCCNC(=O)c4cnc(N5CCCCC5)s4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C28H35N5O5S/c34-24-11-10-22(25(35)31-24)33-18-19-16-20(8-9-21(19)27(33)37)38-15-7-2-1-4-12-29-26(36)23-17-30-28(39-23)32-13-5-3-6-14-32/h8-9,16-17,22H,1-7,10-15,18H2,(H,29,36)(H,31,34,35)
InChIKeyGKARVBVUNJMYQL-UHFFFAOYSA-N
XLogP3.26
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.69
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 156792030
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 156792138
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-3-methylbutanamide
CID 174200047
benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate
CID 156512176
3-[3-oxo-6-(2-piperidin-1-ylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166875832
3-[6-[6-[(1-cyclohexylpyrazol-4-yl)methylamino]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156792048
3-[6-[6-(1H-imidazol-2-ylmethylamino)hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156792169
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836
3-[6-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165380108
3-[6-[6-[[6-(diethylamino)-3-pyridinyl]methylamino]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156791926
tert-butyl N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]heptyl]carbamate
CID 175891825
3-[6-[2-[(2R)-1-ethylpyrrolidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175297198

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (CID 156792089) is N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is O=C1CCC(N2Cc3cc(OCCCCCCNC(=O)c4cnc(N5CCCCC5)s4)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GKARVBVUNJMYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O5S/c34-24-11-10-22(25(35)31-24)33-18-19-16-20(8-9-21(19)27(33)37)38-15-7-2-1-4-12-29-26(36)23-17-30-28(39-23)32-13-5-3-6-14-32/h8-9,16-17,22H,1-7,10-15,18H2,(H,29,36)(H,31,34,35).
What are the key properties of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 553.69 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156792089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).