(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one

C26H22FN3O2S — CID 2110827

IUPAC(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C26H22FN3O2S/c1-32-22-13-9-19(10-14-22)25-23(16-30(28-25)21-5-3-2-4-6-21)26-29(24(31)17-33-26)15-18-7-11-20(27)12-8-18/h2-14,16,26H,15,17H2,1H3/t26-/m0/s1
InChIKeyWOIOKCZVDLJFFC-SANMLTNESA-N
MW459.55 g/mol
LogP5.46
Rot. Bonds6

About (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one

(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one (PubChem CID 2110827) has the molecular formula C26H22FN3O2S and a molecular weight of 459.55 g/mol. Its IUPAC name is (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
PubChem CID2110827
Molecular FormulaC26H22FN3O2S
Molecular Weight459.55 g/mol
Exact Mass459.14
IUPAC Name(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C26H22FN3O2S/c1-32-22-13-9-19(10-14-22)25-23(16-30(28-25)21-5-3-2-4-6-21)26-29(24(31)17-33-26)15-18-7-11-20(27)12-8-18/h2-14,16,26H,15,17H2,1H3/t26-/m0/s1
InChIKeyWOIOKCZVDLJFFC-SANMLTNESA-N
XLogP5.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 5209788
(2R)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2R)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 97354163
(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 982381
(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99710540
(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99710533
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 45123641
(2S)-3-benzyl-2-[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 2360922
(2S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 42523972
(2S)-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2S)-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99654858
3-benzyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 3555205
2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 143204686
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 15985531

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one (CID 2110827) is (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one is COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one?
The InChIKey is WOIOKCZVDLJFFC-SANMLTNESA-N. The full InChI is InChI=1S/C26H22FN3O2S/c1-32-22-13-9-19(10-14-22)25-23(16-30(28-25)21-5-3-2-4-6-21)26-29(24(31)17-33-26)15-18-7-11-20(27)12-8-18/h2-14,16,26H,15,17H2,1H3/t26-/m0/s1.
What are the key properties of (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one?
(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one has a molecular weight of 459.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2110827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).