8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid

C22H25NO5S — CID 142938483

IUPAC8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid
SMILESO=C(O)CCCCCCCOc1ccc(/C=C2\SC(=O)NC2O)c2ccccc12
InChIInChI=1S/C22H25NO5S/c24-20(25)10-4-2-1-3-7-13-28-18-12-11-15(16-8-5-6-9-17(16)18)14-19-21(26)23-22(27)29-19/h5-6,8-9,11-12,14,21,26H,1-4,7,10,13H2,(H,23,27)(H,24,25)/b19-14-
InChIKeyWKEPOQJEONPYAG-RGEXLXHISA-N
MW415.51 g/mol
LogP4.76
Rot. Bonds10

About 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid

8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid (PubChem CID 142938483) has the molecular formula C22H25NO5S and a molecular weight of 415.51 g/mol. Its IUPAC name is 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid.

Molecular Properties

Compound Name8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid
PubChem CID142938483
Molecular FormulaC22H25NO5S
Molecular Weight415.51 g/mol
Exact Mass415.15
IUPAC Name8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid
SMILESO=C(O)CCCCCCCOc1ccc(/C=C2\SC(=O)NC2O)c2ccccc12
InChIInChI=1S/C22H25NO5S/c24-20(25)10-4-2-1-3-7-13-28-18-12-11-15(16-8-5-6-9-17(16)18)14-19-21(26)23-22(27)29-19/h5-6,8-9,11-12,14,21,26H,1-4,7,10,13H2,(H,23,27)(H,24,25)/b19-14-
InChIKeyWKEPOQJEONPYAG-RGEXLXHISA-N
XLogP4.76
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

18-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctadecanoic acid
CID 59122880
17-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyheptadecanoic acid
CID 72523065
5-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxypentanoic acid
CID 87217229
5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid;ethane
CID 142911098
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59994086
7-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]naphthalen-1-yl]oxyheptanoic acid
CID 71156408
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid
CID 90849167
4-(4-nitronaphthalen-1-yl)oxybutanoic acid
CID 63690121
11-[2-(3-carboxypropoxy)-6-methylphenoxy]undecanoic acid
CID 18796148
13-[2-(3-carboxypropoxy)-3-methylphenoxy]tridecanoic acid
CID 18795889

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid?
The IUPAC name of 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid (CID 142938483) is 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid.
What is the SMILES notation for 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid?
The canonical SMILES for 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid is O=C(O)CCCCCCCOc1ccc(/C=C2\SC(=O)NC2O)c2ccccc12.
What is the InChIKey of 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid?
The InChIKey is WKEPOQJEONPYAG-RGEXLXHISA-N. The full InChI is InChI=1S/C22H25NO5S/c24-20(25)10-4-2-1-3-7-13-28-18-12-11-15(16-8-5-6-9-17(16)18)14-19-21(26)23-22(27)29-19/h5-6,8-9,11-12,14,21,26H,1-4,7,10,13H2,(H,23,27)(H,24,25)/b19-14-.
What are the key properties of 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid?
8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid has a molecular weight of 415.51 g/mol, XLogP of 4.76, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid is sourced from PubChem (CID 142938483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).