[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate

C21H17FN2O3S — CID 35545507

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H17FN2O3S/c22-15-5-3-14(4-6-15)21-23-16(13-28-21)12-20(26)27-18-9-7-17(8-10-18)24-11-1-2-19(24)25/h3-10,13H,1-2,11-12H2
InChIKeyOYJMQHKJAVWQIE-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.22
Rot. Bonds5

About [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 35545507) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID35545507
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H17FN2O3S/c22-15-5-3-14(4-6-15)21-23-16(13-28-21)12-20(26)27-18-9-7-17(8-10-18)24-11-1-2-19(24)25/h3-10,13H,1-2,11-12H2
InChIKeyOYJMQHKJAVWQIE-UHFFFAOYSA-N
XLogP4.22
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
CID 30585345
[4-(4-fluorobenzoyl)phenyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 46611736
(3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 27826070
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 26958590
N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9270484
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 16557201
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 166192477
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
CID 35544576
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
CID 35545565
(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496
2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667804

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate (CID 35545507) is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate is O=C(Cc1csc(-c2ccc(F)cc2)n1)Oc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is OYJMQHKJAVWQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c22-15-5-3-14(4-6-15)21-23-16(13-28-21)12-20(26)27-18-9-7-17(8-10-18)24-11-1-2-19(24)25/h3-10,13H,1-2,11-12H2.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 396.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 35545507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).