2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide

C18H18N4O3S — CID 90619529

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1CCCN1c1nccs1
InChIInChI=1S/C18H18N4O3S/c23-15(11-22-16(24)13-5-1-2-6-14(13)17(22)25)20-10-12-4-3-8-21(12)18-19-7-9-26-18/h1-2,5-7,9,12H,3-4,8,10-11H2,(H,20,23)
InChIKeyZFJNHMQXRGXXJE-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.52
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 90619529) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID90619529
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1CCCN1c1nccs1
InChIInChI=1S/C18H18N4O3S/c23-15(11-22-16(24)13-5-1-2-6-14(13)17(22)25)20-10-12-4-3-8-21(12)18-19-7-9-26-18/h1-2,5-7,9,12H,3-4,8,10-11H2,(H,20,23)
InChIKeyZFJNHMQXRGXXJE-UHFFFAOYSA-N
XLogP1.52
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide (CID 90619529) is 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCC1CCCN1c1nccs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is ZFJNHMQXRGXXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-15(11-22-16(24)13-5-1-2-6-14(13)17(22)25)20-10-12-4-3-8-21(12)18-19-7-9-26-18/h1-2,5-7,9,12H,3-4,8,10-11H2,(H,20,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 90619529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).