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

C24H22F2N4O3S — CID 122653895

IUPAC1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)CC1
InChIInChI=1S/C24H22F2N4O3S/c25-20-6-5-19(14-21(20)26)33-18-3-1-16(2-4-18)30-15-17(13-22(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-34-23/h1-7,12,14,17H,8-11,13,15H2
InChIKeyAJWFQTWBAHAYAW-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.78
Rot. Bonds5

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

1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122653895) has the molecular formula C24H22F2N4O3S and a molecular weight of 484.53 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122653895
Molecular FormulaC24H22F2N4O3S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC Name1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)CC1
InChIInChI=1S/C24H22F2N4O3S/c25-20-6-5-19(14-21(20)26)33-18-3-1-16(2-4-18)30-15-17(13-22(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-34-23/h1-7,12,14,17H,8-11,13,15H2
InChIKeyAJWFQTWBAHAYAW-UHFFFAOYSA-N
XLogP3.78
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3,4-difluorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659528
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
CID 122654184
1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654113
N-[4-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654217
4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide
CID 122653867
1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653961
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one
CID 122653983
5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid
CID 122654221
N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654159
1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196917
1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653888
1-[1-(5-chloro-2-pyridinyl)indol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653903

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122653895) is 1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)CC1.
What is the InChIKey of 1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is AJWFQTWBAHAYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3S/c25-20-6-5-19(14-21(20)26)33-18-3-1-16(2-4-18)30-15-17(13-22(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-34-23/h1-7,12,14,17H,8-11,13,15H2.
What are the key properties of 1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 484.53 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122653895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).