(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C21H25NO4S — CID 1377930

IUPAC(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc([C@H]2S[C@H](C)C(=O)N2CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4S/c1-14-20(23)22(11-10-15-8-6-5-7-9-15)21(27-14)16-12-17(24-2)19(26-4)18(13-16)25-3/h5-9,12-14,21H,10-11H2,1-4H3/t14-,21-/m1/s1
InChIKeyJBQKYTGEMKRVNN-SPLOXXLWSA-N
MW387.50 g/mol
LogP3.92
Rot. Bonds7

About (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1377930) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1377930
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc([C@H]2S[C@H](C)C(=O)N2CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4S/c1-14-20(23)22(11-10-15-8-6-5-7-9-15)21(27-14)16-12-17(24-2)19(26-4)18(13-16)25-3/h5-9,12-14,21H,10-11H2,1-4H3/t14-,21-/m1/s1
InChIKeyJBQKYTGEMKRVNN-SPLOXXLWSA-N
XLogP3.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 42814170
2-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3395784
4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
CID 3383798
methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate
CID 73324804
6-(2-phenylethyl)-4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42956174
1-(4-chlorophenyl)-4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazolidine-3-thione
CID 90233741
2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 24715469
(2R,5R)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562295
(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562296
(5R)-4-[hydroxy-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylidene]-1-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
CID 41031069
(5S)-5-benzyl-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 10623254
2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795938

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 1377930) is (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc([C@H]2S[C@H](C)C(=O)N2CCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is JBQKYTGEMKRVNN-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-14-20(23)22(11-10-15-8-6-5-7-9-15)21(27-14)16-12-17(24-2)19(26-4)18(13-16)25-3/h5-9,12-14,21H,10-11H2,1-4H3/t14-,21-/m1/s1.
What are the key properties of (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 387.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1377930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).