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

C22H23N3O3S — CID 2874023

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-28-18-12-10-16(11-13-18)22-24(19(26)14-29-22)20-15(2)23(3)25(21(20)27)17-8-6-5-7-9-17/h5-13,22H,4,14H2,1-3H3
InChIKeyROXNUEHAHRJFNS-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.66
Rot. Bonds5

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

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2874023) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2874023
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-28-18-12-10-16(11-13-18)22-24(19(26)14-29-22)20-15(2)23(3)25(21(20)27)17-8-6-5-7-9-17/h5-13,22H,4,14H2,1-3H3
InChIKeyROXNUEHAHRJFNS-UHFFFAOYSA-N
XLogP3.66
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (CID 2874023) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one is CCOc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is ROXNUEHAHRJFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-4-28-18-12-10-16(11-13-18)22-24(19(26)14-29-22)20-15(2)23(3)25(21(20)27)17-8-6-5-7-9-17/h5-13,22H,4,14H2,1-3H3.
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 409.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2874023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).