1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C24H24N4O2S — CID 118196759

IUPAC1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C24H24N4O2S/c29-22-16-21(26-10-12-27(13-11-26)24(30)23-25-9-14-31-23)17-28(22)20-8-4-7-19(15-20)18-5-2-1-3-6-18/h1-9,14-15,21H,10-13,16-17H2
InChIKeyZWUZRKUHKKIXKI-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.37
Rot. Bonds4

About 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 118196759) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID118196759
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C24H24N4O2S/c29-22-16-21(26-10-12-27(13-11-26)24(30)23-25-9-14-31-23)17-28(22)20-8-4-7-19(15-20)18-5-2-1-3-6-18/h1-9,14-15,21H,10-13,16-17H2
InChIKeyZWUZRKUHKKIXKI-UHFFFAOYSA-N
XLogP3.37
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653897
1-[3-(2-Methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196917
1-[3-(2-Methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653949
1-[3-(4-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653972
1-[3-Fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653979
1-[3-(3-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653997
1-[4-Fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654040
1-[3-(3-Methyl-2-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659523
N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
CID 164609187
N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 118716532
Eba93ntr7P
CID 165412132
2-[1-(biphenyl-4-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 16190585

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 118196759) is 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4ccccc4)c3)C2)CC1.
What is the InChIKey of 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is ZWUZRKUHKKIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-22-16-21(26-10-12-27(13-11-26)24(30)23-25-9-14-31-23)17-28(22)20-8-4-7-19(15-20)18-5-2-1-3-6-18/h1-9,14-15,21H,10-13,16-17H2.
What are the key properties of 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 432.55 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 118196759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).