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

C24H24N4O3S — CID 122654012

IUPAC1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(Oc4ccccc4)c3)C2)CC1
InChIInChI=1S/C24H24N4O3S/c29-22-16-19(26-10-12-27(13-11-26)24(30)23-25-9-14-32-23)17-28(22)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-9,14-15,19H,10-13,16-17H2
InChIKeyWSBQMOSUOWVSFA-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.50
Rot. Bonds5

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

1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122654012) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122654012
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(Oc4ccccc4)c3)C2)CC1
InChIInChI=1S/C24H24N4O3S/c29-22-16-19(26-10-12-27(13-11-26)24(30)23-25-9-14-32-23)17-28(22)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-9,14-15,19H,10-13,16-17H2
InChIKeyWSBQMOSUOWVSFA-UHFFFAOYSA-N
XLogP3.50
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122654012) is 1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(Oc4ccccc4)c3)C2)CC1.
What is the InChIKey of 1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is WSBQMOSUOWVSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-22-16-19(26-10-12-27(13-11-26)24(30)23-25-9-14-32-23)17-28(22)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-9,14-15,19H,10-13,16-17H2.
What are the key properties of 1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 448.55 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122654012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).