(2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate

C17H12N4O4S — CID 134397821

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cncn1-c1ncc(-c2ccccc2)s1
InChIInChI=1S/C17H12N4O4S/c22-14-6-7-15(23)21(14)25-16(24)12-8-18-10-20(12)17-19-9-13(26-17)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyJJIWSDQORMNLES-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.22
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate

(2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate (PubChem CID 134397821) has the molecular formula C17H12N4O4S and a molecular weight of 368.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
PubChem CID134397821
Molecular FormulaC17H12N4O4S
Molecular Weight368.37 g/mol
Exact Mass368.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cncn1-c1ncc(-c2ccccc2)s1
InChIInChI=1S/C17H12N4O4S/c22-14-6-7-15(23)21(14)25-16(24)12-8-18-10-20(12)17-19-9-13(26-17)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyJJIWSDQORMNLES-UHFFFAOYSA-N
XLogP2.22
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate (CID 134397821) is (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate is O=C(ON1C(=O)CCC1=O)c1cncn1-c1ncc(-c2ccccc2)s1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
The InChIKey is JJIWSDQORMNLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4S/c22-14-6-7-15(23)21(14)25-16(24)12-8-18-10-20(12)17-19-9-13(26-17)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate has a molecular weight of 368.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate is sourced from PubChem (CID 134397821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).