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

C24H23ClN4O2S — CID 122653997

IUPAC1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4cccc(Cl)c4)c3)C2)CC1
InChIInChI=1S/C24H23ClN4O2S/c25-19-5-1-3-17(13-19)18-4-2-6-20(14-18)29-16-21(15-22(29)30)27-8-10-28(11-9-27)24(31)23-26-7-12-32-23/h1-7,12-14,21H,8-11,15-16H2
InChIKeyOQHVPMGEEKCQDL-UHFFFAOYSA-N
MW466.99 g/mol
LogP4.03
Rot. Bonds4

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

1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122653997) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122653997
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4cccc(Cl)c4)c3)C2)CC1
InChIInChI=1S/C24H23ClN4O2S/c25-19-5-1-3-17(13-19)18-4-2-6-20(14-18)29-16-21(15-22(29)30)27-8-10-28(11-9-27)24(31)23-26-7-12-32-23/h1-7,12-14,21H,8-11,15-16H2
InChIKeyOQHVPMGEEKCQDL-UHFFFAOYSA-N
XLogP4.03
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122653997) is 1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4cccc(Cl)c4)c3)C2)CC1.
What is the InChIKey of 1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is OQHVPMGEEKCQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c25-19-5-1-3-17(13-19)18-4-2-6-20(14-18)29-16-21(15-22(29)30)27-8-10-28(11-9-27)24(31)23-26-7-12-32-23/h1-7,12-14,21H,8-11,15-16H2.
What are the key properties of 1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 466.99 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122653997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).