1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

C20H24N4O4S2 — CID 27757486

IUPAC1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C(Cc1csc(N2CCCC2=O)n1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O4S2/c25-18-7-4-8-24(18)20-21-17(14-29-20)13-19(26)22-9-11-23(12-10-22)30(27,28)15-16-5-2-1-3-6-16/h1-3,5-6,14H,4,7-13,15H2
InChIKeyNRJMRIJLMREANQ-UHFFFAOYSA-N
MW448.57 g/mol
LogP1.49
Rot. Bonds6

About 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 27757486) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID27757486
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC Name1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C(Cc1csc(N2CCCC2=O)n1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O4S2/c25-18-7-4-8-24(18)20-21-17(14-29-20)13-19(26)22-9-11-23(12-10-22)30(27,28)15-16-5-2-1-3-6-16/h1-3,5-6,14H,4,7-13,15H2
InChIKeyNRJMRIJLMREANQ-UHFFFAOYSA-N
XLogP1.49
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27757217
1-[4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 39967713
1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 134021655
1-[4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 9476792
1-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 27048907
1-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
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CID 134029959
1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 55682803
1-[4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 55518283
1-[4-[2-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 95590157
[2-(benzylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667673
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18288842

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 27757486) is 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is O=C(Cc1csc(N2CCCC2=O)n1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is NRJMRIJLMREANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c25-18-7-4-8-24(18)20-21-17(14-29-20)13-19(26)22-9-11-23(12-10-22)30(27,28)15-16-5-2-1-3-6-16/h1-3,5-6,14H,4,7-13,15H2.
What are the key properties of 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 448.57 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 27757486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).