(1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone

C26H27FN4O2S — CID 112816942

IUPAC(1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1ccccc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C26H27FN4O2S/c27-21-10-8-19(9-11-21)24-28-22(18-34-24)17-29-13-15-30(16-14-29)26(33)23-7-4-12-31(23)25(32)20-5-2-1-3-6-20/h1-3,5-6,8-11,18,23H,4,7,12-17H2
InChIKeyGOOSFMJXQJGCQA-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.90
Rot. Bonds5

About (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone

(1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 112816942) has the molecular formula C26H27FN4O2S and a molecular weight of 478.59 g/mol. Its IUPAC name is (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
PubChem CID112816942
Molecular FormulaC26H27FN4O2S
Molecular Weight478.59 g/mol
Exact Mass478.18
IUPAC Name(1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1ccccc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C26H27FN4O2S/c27-21-10-8-19(9-11-21)24-28-22(18-34-24)17-29-13-15-30(16-14-29)26(33)23-7-4-12-31(23)25(32)20-5-2-1-3-6-20/h1-3,5-6,8-11,18,23H,4,7,12-17H2
InChIKeyGOOSFMJXQJGCQA-UHFFFAOYSA-N
XLogP3.90
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 119902970
1-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 112813953
4-[[4-(1-benzoylpyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 112813902
tert-butyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate
CID 70975537
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide
CID 43056186
[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 71780646
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
(4-fluorophenyl)-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 134001270
(1-benzoylpiperidin-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 23823635
(3-phenylfuran-2-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 24655305
[3-(dimethylamino)phenyl]-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086319

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone (CID 112816942) is (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone is O=C(C1CCCN1C(=O)c1ccccc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is GOOSFMJXQJGCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2S/c27-21-10-8-19(9-11-21)24-28-22(18-34-24)17-29-13-15-30(16-14-29)26(33)23-7-4-12-31(23)25(32)20-5-2-1-3-6-20/h1-3,5-6,8-11,18,23H,4,7,12-17H2.
What are the key properties of (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?
(1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 478.59 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 112816942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).