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

C24H24N4O2S — CID 122654222

IUPAC1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccccc3-c3ccccc3)C2)CC1
InChIInChI=1S/C24H24N4O2S/c29-22-16-19(26-11-13-27(14-12-26)24(30)23-25-10-15-31-23)17-28(22)21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-10,15,19H,11-14,16-17H2
InChIKeyWOPPSBKKQUNYMU-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.37
Rot. Bonds4

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

1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122654222) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122654222
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccccc3-c3ccccc3)C2)CC1
InChIInChI=1S/C24H24N4O2S/c29-22-16-19(26-11-13-27(14-12-26)24(30)23-25-10-15-31-23)17-28(22)21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-10,15,19H,11-14,16-17H2
InChIKeyWOPPSBKKQUNYMU-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122654222) is 1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccccc3-c3ccccc3)C2)CC1.
What is the InChIKey of 1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is WOPPSBKKQUNYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-22-16-19(26-11-13-27(14-12-26)24(30)23-25-10-15-31-23)17-28(22)21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-10,15,19H,11-14,16-17H2.
What are the key properties of 1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-(2-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-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122654222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).