N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide

C23H21N3O3S — CID 24686699

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-15(27)21-20(17-10-6-3-7-11-17)24-23(30-21)25-22(29)18-12-19(28)26(14-18)13-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,24,25,29)
InChIKeyJUFUQJWVQLILEN-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.00
Rot. Bonds6

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 24686699) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
PubChem CID24686699
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-15(27)21-20(17-10-6-3-7-11-17)24-23(30-21)25-22(29)18-12-19(28)26(14-18)13-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,24,25,29)
InChIKeyJUFUQJWVQLILEN-UHFFFAOYSA-N
XLogP4.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide (CID 24686699) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide is CC(=O)c1sc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JUFUQJWVQLILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15(27)21-20(17-10-6-3-7-11-17)24-23(30-21)25-22(29)18-12-19(28)26(14-18)13-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,24,25,29).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24686699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).