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

C23H25N3O4S — CID 27566711

IUPAC(2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC
InChIInChI=1S/C23H25N3O4S/c1-14-20(22(28)26(24(14)3)17-9-7-6-8-10-17)25-21(27)15(2)31-23(25)16-11-12-18(29-4)19(13-16)30-5/h6-13,15,23H,1-5H3/t15-,23+/m0/s1
InChIKeyZRSWUJMCGVEDDR-NPMXOYFQSA-N
MW439.54 g/mol
LogP3.67
Rot. Bonds5

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

(2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 27566711) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is (2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID27566711
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name(2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC
InChIInChI=1S/C23H25N3O4S/c1-14-20(22(28)26(24(14)3)17-9-7-6-8-10-17)25-21(27)15(2)31-23(25)16-11-12-18(29-4)19(13-16)30-5/h6-13,15,23H,1-5H3/t15-,23+/m0/s1
InChIKeyZRSWUJMCGVEDDR-NPMXOYFQSA-N
XLogP3.67
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3,4-dimethylphenyl)-5-methyl-1,3-thiazolidin-4-one
CID 27566757
(2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one
CID 27566730
(2S,5S)-2-(2,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one
CID 40793862
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one
CID 27566868
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274924
2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 11842533
(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 171977734
3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one
CID 71372658
1,5-dimethyl-4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-phenylpyrazol-3-one
CID 101369227
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20998885
4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 659555
(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1377930

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one (CID 27566711) is (2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one is COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC.
What is the InChIKey of (2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is ZRSWUJMCGVEDDR-NPMXOYFQSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-14-20(22(28)26(24(14)3)17-9-7-6-8-10-17)25-21(27)15(2)31-23(25)16-11-12-18(29-4)19(13-16)30-5/h6-13,15,23H,1-5H3/t15-,23+/m0/s1.
What are the key properties of (2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one?
(2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 439.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 27566711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).