(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one

C26H23N3O3S — CID 1274924

IUPAC(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCc1c(N2C(=O)CS[C@H]2c2ccc(Oc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C26H23N3O3S/c1-18-24(25(31)29(27(18)2)20-9-5-3-6-10-20)28-23(30)17-33-26(28)19-13-15-22(16-14-19)32-21-11-7-4-8-12-21/h3-16,26H,17H2,1-2H3/t26-/m0/s1
InChIKeyDUOPZCWJEFGUIA-SANMLTNESA-N
MW457.56 g/mol
LogP5.06
Rot. Bonds5

About (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one

(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1274924) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1274924
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCc1c(N2C(=O)CS[C@H]2c2ccc(Oc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C26H23N3O3S/c1-18-24(25(31)29(27(18)2)20-9-5-3-6-10-20)28-23(30)17-33-26(28)19-13-15-22(16-14-19)32-21-11-7-4-8-12-21/h3-16,26H,17H2,1-2H3/t26-/m0/s1
InChIKeyDUOPZCWJEFGUIA-SANMLTNESA-N
XLogP5.06
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one
CID 27566868
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one
CID 11842542
2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 11842533
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 171977842
(2S)-3-(2-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 27566922
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
(2S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2-phenyl-1,3-thiazolidin-4-one
CID 139059273
(2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one
CID 27566730

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (CID 1274924) is (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is Cc1c(N2C(=O)CS[C@H]2c2ccc(Oc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is DUOPZCWJEFGUIA-SANMLTNESA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-18-24(25(31)29(27(18)2)20-9-5-3-6-10-20)28-23(30)17-33-26(28)19-13-15-22(16-14-19)32-21-11-7-4-8-12-21/h3-16,26H,17H2,1-2H3/t26-/m0/s1.
What are the key properties of (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 457.56 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1274924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).