3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one

C24H20N4OS — CID 56968221

IUPAC3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1N1C(=O)CSC1c1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C24H20N4OS/c1-17-7-5-6-10-21(17)28-22(29)16-30-24(28)20-15-27(19-8-3-2-4-9-19)26-23(20)18-11-13-25-14-12-18/h2-15,24H,16H2,1H3
InChIKeyJYPKRBCMSQBHPT-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.02
Rot. Bonds4

About 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one

3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 56968221) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID56968221
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC Name3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1N1C(=O)CSC1c1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C24H20N4OS/c1-17-7-5-6-10-21(17)28-22(29)16-30-24(28)20-15-27(19-8-3-2-4-9-19)26-23(20)18-11-13-25-14-12-18/h2-15,24H,16H2,1H3
InChIKeyJYPKRBCMSQBHPT-UHFFFAOYSA-N
XLogP5.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 56968434
(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
(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 982381
2-(1,3-diphenylpyrazol-4-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 2802850
(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
(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-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
3-benzyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 3555205
(2R)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 1190761
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 45123641
3-[(4-chlorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 5209788
(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 2110827

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one (CID 56968221) is 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one is Cc1ccccc1N1C(=O)CSC1c1cn(-c2ccccc2)nc1-c1ccncc1.
What is the InChIKey of 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is JYPKRBCMSQBHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-17-7-5-6-10-21(17)28-22(29)16-30-24(28)20-15-27(19-8-3-2-4-9-19)26-23(20)18-11-13-25-14-12-18/h2-15,24H,16H2,1H3.
What are the key properties of 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 412.52 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 56968221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).