[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate

C21H18FN3O3S — CID 30824072

IUPAC[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCS[C@@H]1c1ccccc1F)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H18FN3O3S/c22-17-9-5-4-8-15(17)20-25(10-11-29-20)18(26)13-28-21(27)16-12-23-24-19(16)14-6-2-1-3-7-14/h1-9,12,20H,10-11,13H2,(H,23,24)/t20-/m1/s1
InChIKeyOYZBTWRZVHGYME-HXUWFJFHSA-N
MW411.46 g/mol
LogP3.65
Rot. Bonds5

About [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate

[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate (PubChem CID 30824072) 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] 5-phenyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate
PubChem CID30824072
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC Name[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCS[C@@H]1c1ccccc1F)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H18FN3O3S/c22-17-9-5-4-8-15(17)20-25(10-11-29-20)18(26)13-28-21(27)16-12-23-24-19(16)14-6-2-1-3-7-14/h1-9,12,20H,10-11,13H2,(H,23,24)/t20-/m1/s1
InChIKeyOYZBTWRZVHGYME-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

Analyze [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate?
The IUPAC name of [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate (CID 30824072) is [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate is O=C(OCC(=O)N1CCS[C@@H]1c1ccccc1F)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of [2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate?
The InChIKey is OYZBTWRZVHGYME-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c22-17-9-5-4-8-15(17)20-25(10-11-29-20)18(26)13-28-21(27)16-12-23-24-19(16)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] 5-phenyl-1H-pyrazole-4-carboxylate?
[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-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] 5-phenyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 30824072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).