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

C27H26N4O3S — CID 162043739

IUPAC1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1Cc2cccc(-c3cccc(N4CC(N5CCN(C(=O)c6nccs6)CC5)CC4=O)c3)c2C1
InChIInChI=1S/C27H26N4O3S/c32-22-14-19-4-2-6-23(24(19)16-22)18-3-1-5-20(13-18)31-17-21(15-25(31)33)29-8-10-30(11-9-29)27(34)26-28-7-12-35-26/h1-7,12-13,21H,8-11,14-17H2
InChIKeyYXPUTCZUACMVNN-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.04
Rot. Bonds4

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

1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 162043739) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID162043739
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC Name1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1Cc2cccc(-c3cccc(N4CC(N5CCN(C(=O)c6nccs6)CC5)CC4=O)c3)c2C1
InChIInChI=1S/C27H26N4O3S/c32-22-14-19-4-2-6-23(24(19)16-22)18-3-1-5-20(13-18)31-17-21(15-25(31)33)29-8-10-30(11-9-29)27(34)26-28-7-12-35-26/h1-7,12-13,21H,8-11,14-17H2
InChIKeyYXPUTCZUACMVNN-UHFFFAOYSA-N
XLogP3.04
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 122654120
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
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one
CID 122653983
3-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]benzenesulfonamide
CID 122654004
1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654036
1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654222
1-[3-(morpholin-4-ylmethyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653876
1-[3-(oxan-4-ylamino)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659518
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
CID 122654184
1-[4-(3,4-difluorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659528
N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654159

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 162043739) is 1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C1Cc2cccc(-c3cccc(N4CC(N5CCN(C(=O)c6nccs6)CC5)CC4=O)c3)c2C1.
What is the InChIKey of 1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is YXPUTCZUACMVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c32-22-14-19-4-2-6-23(24(19)16-22)18-3-1-5-20(13-18)31-17-21(15-25(31)33)29-8-10-30(11-9-29)27(34)26-28-7-12-35-26/h1-7,12-13,21H,8-11,14-17H2.
What are the key properties of 1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 486.60 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 162043739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).