1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C25H24ClFN4O2S — CID 122654144

IUPAC1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1cc(Cl)ccc1-c1cc(F)cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1
InChIInChI=1S/C25H24ClFN4O2S/c1-16-10-18(26)2-3-22(16)17-11-19(27)13-20(12-17)31-15-21(14-23(31)32)29-5-7-30(8-6-29)25(33)24-28-4-9-34-24/h2-4,9-13,21H,5-8,14-15H2,1H3
InChIKeyOXRIHHGQIQAOEH-UHFFFAOYSA-N
MW499.01 g/mol
LogP4.47
Rot. Bonds4

About 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122654144) has the molecular formula C25H24ClFN4O2S and a molecular weight of 499.01 g/mol. Its IUPAC name is 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122654144
Molecular FormulaC25H24ClFN4O2S
Molecular Weight499.01 g/mol
Exact Mass498.13
IUPAC Name1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1cc(Cl)ccc1-c1cc(F)cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1
InChIInChI=1S/C25H24ClFN4O2S/c1-16-10-18(26)2-3-22(16)17-11-19(27)13-20(12-17)31-15-21(14-23(31)32)29-5-7-30(8-6-29)25(33)24-28-4-9-34-24/h2-4,9-13,21H,5-8,14-15H2,1H3
InChIKeyOXRIHHGQIQAOEH-UHFFFAOYSA-N
XLogP4.47
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.01
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-4-methyl-5-[(2R)-1-[(1,3-thiazol-2-yl)carbonyl]pyrrolidin-2-yl]pyridine
CID 53380924
1-[3-(2-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653897
Pmid21757343C30
CID 56663548
1-(3-Phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196759
1-[3-(2-Methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653949
1-[3-(4-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653972
1-[3-Fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653979
1-[3-(3-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653997
1-[4-Fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654040
Eba93ntr7P
CID 165412132
N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 30936715
(4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 134820912

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122654144) is 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is Cc1cc(Cl)ccc1-c1cc(F)cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1.
What is the InChIKey of 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is OXRIHHGQIQAOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O2S/c1-16-10-18(26)2-3-22(16)17-11-19(27)13-20(12-17)31-15-21(14-23(31)32)29-5-7-30(8-6-29)25(33)24-28-4-9-34-24/h2-4,9-13,21H,5-8,14-15H2,1H3.
What are the key properties of 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 499.01 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2-methylphenyl)-5-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122654144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).