2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C19H21NO7S — CID 141303590

IUPAC2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2N(c3cc(OC)c(OC)c(OC)c3)C(=O)CS2=O)cc1O
InChIInChI=1S/C19H21NO7S/c1-24-14-6-5-11(7-13(14)21)19-20(17(22)10-28(19)23)12-8-15(25-2)18(27-4)16(9-12)26-3/h5-9,19,21H,10H2,1-4H3
InChIKeyMSYPDKAJUDMJPP-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.22
Rot. Bonds6

About 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 141303590) has the molecular formula C19H21NO7S and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID141303590
Molecular FormulaC19H21NO7S
Molecular Weight407.44 g/mol
Exact Mass407.10
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2N(c3cc(OC)c(OC)c(OC)c3)C(=O)CS2=O)cc1O
InChIInChI=1S/C19H21NO7S/c1-24-14-6-5-11(7-13(14)21)19-20(17(22)10-28(19)23)12-8-15(25-2)18(27-4)16(9-12)26-3/h5-9,19,21H,10H2,1-4H3
InChIKeyMSYPDKAJUDMJPP-UHFFFAOYSA-N
XLogP2.22
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974440
N-[(2S,3S)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]methanesulfonamide
CID 131974453
(3R,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxy-3-(methoxymethyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974455
(3S,4R)-3-(chloromethyl)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162667268
(3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 175912034
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
(3E,4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one
CID 155649067
(3R,4R)-1-(3,4-dimethoxy-5-methylselanylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methylazetidin-2-one
CID 172750266
(3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 71493452
(3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162675381
(4R)-1-(3,5-dimethoxy-4-methylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methylideneazetidin-2-one
CID 131974459
(3S,4R)-4-(3,4-dihydroxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025179

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 141303590) is 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2N(c3cc(OC)c(OC)c(OC)c3)C(=O)CS2=O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is MSYPDKAJUDMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7S/c1-24-14-6-5-11(7-13(14)21)19-20(17(22)10-28(19)23)12-8-15(25-2)18(27-4)16(9-12)26-3/h5-9,19,21H,10H2,1-4H3.
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 407.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 141303590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).