2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

C24H26N2O4S2 — CID 10254139

IUPAC2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2nc(-c3cc(C(C)C)c(O)cc3C)cs2)cc1OC
InChIInChI=1S/C24H26N2O4S2/c1-13(2)16-10-17(14(3)8-19(16)27)18-11-32-24(25-18)26-22(28)12-31-23(26)15-6-7-20(29-4)21(9-15)30-5/h6-11,13,23,27H,12H2,1-5H3
InChIKeyRSSVKVUDEHONJB-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.74
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (PubChem CID 10254139) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
PubChem CID10254139
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2nc(-c3cc(C(C)C)c(O)cc3C)cs2)cc1OC
InChIInChI=1S/C24H26N2O4S2/c1-13(2)16-10-17(14(3)8-19(16)27)18-11-32-24(25-18)26-22(28)12-31-23(26)15-6-7-20(29-4)21(9-15)30-5/h6-11,13,23,27H,12H2,1-5H3
InChIKeyRSSVKVUDEHONJB-UHFFFAOYSA-N
XLogP5.74
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
CID 10457823
3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one
CID 10049638
2-[2-(4-chlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 10481188
2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
CID 4241332
2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 4914726
2-[(3R)-3-(3,4-dimethoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 41089511
2-[(3S)-3-(3,4-dimethoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 41062889
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 46934279
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 3859836
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 10573347

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (CID 10254139) is 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2c2nc(-c3cc(C(C)C)c(O)cc3C)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is RSSVKVUDEHONJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-13(2)16-10-17(14(3)8-19(16)27)18-11-32-24(25-18)26-22(28)12-31-23(26)15-6-7-20(29-4)21(9-15)30-5/h6-11,13,23,27H,12H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 470.62 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10254139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).