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

C14H15N5O3S — CID 71802214

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C14H15N5O3S/c20-11(8-18-12(21)2-3-13(18)22)15-6-4-10-9-23-14(17-10)19-7-1-5-16-19/h1,5,7,9H,2-4,6,8H2,(H,15,20)
InChIKeyNAENKUMAKLGQCE-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.14
Rot. Bonds6

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

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 71802214) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID71802214
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C14H15N5O3S/c20-11(8-18-12(21)2-3-13(18)22)15-6-4-10-9-23-14(17-10)19-7-1-5-16-19/h1,5,7,9H,2-4,6,8H2,(H,15,20)
InChIKeyNAENKUMAKLGQCE-UHFFFAOYSA-N
XLogP0.14
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 71802214) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is O=C(CN1C(=O)CCC1=O)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is NAENKUMAKLGQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c20-11(8-18-12(21)2-3-13(18)22)15-6-4-10-9-23-14(17-10)19-7-1-5-16-19/h1,5,7,9H,2-4,6,8H2,(H,15,20).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 333.37 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 71802214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).