2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one

C23H21N2O5PS — CID 24878802

IUPAC2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one
SMILESCCOc1cc(C2SCC(=O)N2c2ccc3c(c2)P(=O)(O)c2ccccc2N3)ccc1O
InChIInChI=1S/C23H21N2O5PS/c1-2-30-19-11-14(7-10-18(19)26)23-25(22(27)13-32-23)15-8-9-17-21(12-15)31(28,29)20-6-4-3-5-16(20)24-17/h3-12,23-24,26H,2,13H2,1H3,(H,28,29)
InChIKeyZOQCZXZZAZPSHY-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.85
Rot. Bonds4

About 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one

2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 24878802) has the molecular formula C23H21N2O5PS and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one
PubChem CID24878802
Molecular FormulaC23H21N2O5PS
Molecular Weight468.47 g/mol
Exact Mass468.09
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one
SMILESCCOc1cc(C2SCC(=O)N2c2ccc3c(c2)P(=O)(O)c2ccccc2N3)ccc1O
InChIInChI=1S/C23H21N2O5PS/c1-2-30-19-11-14(7-10-18(19)26)23-25(22(27)13-32-23)15-8-9-17-21(12-15)31(28,29)20-6-4-3-5-16(20)24-17/h3-12,23-24,26H,2,13H2,1H3,(H,28,29)
InChIKeyZOQCZXZZAZPSHY-UHFFFAOYSA-N
XLogP3.85
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 10573347
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 3730595
2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3288402
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3370397
(4R)-1-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136871533
4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135893253
2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 2900984
2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 13317425
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one (CID 24878802) is 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one is CCOc1cc(C2SCC(=O)N2c2ccc3c(c2)P(=O)(O)c2ccccc2N3)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is ZOQCZXZZAZPSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N2O5PS/c1-2-30-19-11-14(7-10-18(19)26)23-25(22(27)13-32-23)15-8-9-17-21(12-15)31(28,29)20-6-4-3-5-16(20)24-17/h3-12,23-24,26H,2,13H2,1H3,(H,28,29).
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one?
2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 468.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24878802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).