2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione

C18H17N3O3S — CID 110289781

IUPAC2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C18H17N3O3S/c22-15(20-8-5-12(6-9-20)16-19-7-10-25-16)11-21-17(23)13-3-1-2-4-14(13)18(21)24/h1-4,7,10,12H,5-6,8-9,11H2
InChIKeyPPTRPRNIESYIBI-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.15
Rot. Bonds3

About 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione

2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 110289781) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID110289781
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C18H17N3O3S/c22-15(20-8-5-12(6-9-20)16-19-7-10-25-16)11-21-17(23)13-3-1-2-4-14(13)18(21)24/h1-4,7,10,12H,5-6,8-9,11H2
InChIKeyPPTRPRNIESYIBI-UHFFFAOYSA-N
XLogP2.15
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308176
3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 136531042
2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159
2-(2-methoxyphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289796
2-[2-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121069896
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-[2-[4-(azepan-1-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110667092
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione (CID 110289781) is 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(c2nccs2)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is PPTRPRNIESYIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-15(20-8-5-12(6-9-20)16-19-7-10-25-16)11-21-17(23)13-3-1-2-4-14(13)18(21)24/h1-4,7,10,12H,5-6,8-9,11H2.
What are the key properties of 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 355.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 110289781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).