2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione

C21H17N3O3S — CID 168518477

IUPAC2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H17N3O3S/c25-19-16-3-1-2-4-17(16)20(26)24(19)15-7-5-14(6-8-15)18-13-28-21(22-18)23-9-11-27-12-10-23/h1-8,13H,9-12H2
InChIKeyHPRXRTSTDJONOB-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.45
Rot. Bonds3

About 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione

2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione (PubChem CID 168518477) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
PubChem CID168518477
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H17N3O3S/c25-19-16-3-1-2-4-17(16)20(26)24(19)15-7-5-14(6-8-15)18-13-28-21(22-18)23-9-11-27-12-10-23/h1-8,13H,9-12H2
InChIKeyHPRXRTSTDJONOB-UHFFFAOYSA-N
XLogP3.45
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 3520878
4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422
2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
CID 71811114
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 17406696
3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 99600302
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 17493632
1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 17467764
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 166427762

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione (CID 168518477) is 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(-c2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
The InChIKey is HPRXRTSTDJONOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-19-16-3-1-2-4-17(16)20(26)24(19)15-7-5-14(6-8-15)18-13-28-21(22-18)23-9-11-27-12-10-23/h1-8,13H,9-12H2.
What are the key properties of 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione has a molecular weight of 391.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168518477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).