[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate

C21H18FN3O3S — CID 9477480

IUPAC[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
SMILESO=C(OCC(=O)N1CCS[C@@H]1c1ccccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H18FN3O3S/c22-16-9-5-4-8-15(16)20-25(10-11-29-20)19(26)13-28-21(27)18-12-17(23-24-18)14-6-2-1-3-7-14/h1-9,12,20H,10-11,13H2,(H,23,24)/t20-/m1/s1
InChIKeyQYZKYMTYWQQLMB-HXUWFJFHSA-N
MW411.46 g/mol
LogP3.65
Rot. Bonds5

About [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate

[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate (PubChem CID 9477480) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
PubChem CID9477480
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC Name[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
SMILESO=C(OCC(=O)N1CCS[C@@H]1c1ccccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H18FN3O3S/c22-16-9-5-4-8-15(16)20-25(10-11-29-20)19(26)13-28-21(27)18-12-17(23-24-18)14-6-2-1-3-7-14/h1-9,12,20H,10-11,13H2,(H,23,24)/t20-/m1/s1
InChIKeyQYZKYMTYWQQLMB-HXUWFJFHSA-N
XLogP3.65
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate
CID 30824072
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 7283438
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 41099119
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 41048112
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9248015
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(3-methyl-4-nitrophenoxy)ethanone
CID 9380988
[2-[4-(2-bromoanilino)piperidin-1-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 153406348
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948
(1-formylpiperidin-4-yl) 3-phenyl-1H-pyrazole-5-carboxylate
CID 86784205
(2R)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 93114946
(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 5068001

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate?
The IUPAC name of [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate (CID 9477480) is [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate is O=C(OCC(=O)N1CCS[C@@H]1c1ccccc1F)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate?
The InChIKey is QYZKYMTYWQQLMB-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c22-16-9-5-4-8-15(16)20-25(10-11-29-20)19(26)13-28-21(27)18-12-17(23-24-18)14-6-2-1-3-7-14/h1-9,12,20H,10-11,13H2,(H,23,24)/t20-/m1/s1.
What are the key properties of [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate?
[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate has a molecular weight of 411.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 9477480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).