5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one

C26H22N2OS — CID 69081902

IUPAC5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccccc2-c2ccccc2)N1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C26H22N2OS/c29-25-16-15-24(23-14-8-7-13-22(23)19-9-3-1-4-10-19)28(25)17-21-18-30-26(27-21)20-11-5-2-6-12-20/h1-14,18,24H,15-17H2
InChIKeyJIKLFQIVTQJSDI-UHFFFAOYSA-N
MW410.54 g/mol
LogP6.34
Rot. Bonds5

About 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one

5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 69081902) has the molecular formula C26H22N2OS and a molecular weight of 410.54 g/mol. Its IUPAC name is 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID69081902
Molecular FormulaC26H22N2OS
Molecular Weight410.54 g/mol
Exact Mass410.15
IUPAC Name5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccccc2-c2ccccc2)N1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C26H22N2OS/c29-25-16-15-24(23-14-8-7-13-22(23)19-9-3-1-4-10-19)28(25)17-21-18-30-26(27-21)20-11-5-2-6-12-20/h1-14,18,24H,15-17H2
InChIKeyJIKLFQIVTQJSDI-UHFFFAOYSA-N
XLogP6.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one (CID 69081902) is 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one is O=C1CCC(c2ccccc2-c2ccccc2)N1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is JIKLFQIVTQJSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2OS/c29-25-16-15-24(23-14-8-7-13-22(23)19-9-3-1-4-10-19)28(25)17-21-18-30-26(27-21)20-11-5-2-6-12-20/h1-14,18,24H,15-17H2.
What are the key properties of 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 410.54 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 69081902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).