2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C16H15N3O3S — CID 4175212

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-2-4-11(5-3-10)12-9-23-16(17-12)18-13(20)8-19-14(21)6-7-15(19)22/h2-5,9H,6-8H2,1H3,(H,17,18,20)
InChIKeyVNAUYTAHWIMOQG-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.21
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4175212) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID4175212
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-2-4-11(5-3-10)12-9-23-16(17-12)18-13(20)8-19-14(21)6-7-15(19)22/h2-5,9H,6-8H2,1H3,(H,17,18,20)
InChIKeyVNAUYTAHWIMOQG-UHFFFAOYSA-N
XLogP2.21
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 4175212) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VNAUYTAHWIMOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-2-4-11(5-3-10)12-9-23-16(17-12)18-13(20)8-19-14(21)6-7-15(19)22/h2-5,9H,6-8H2,1H3,(H,17,18,20).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4175212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).