5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid

C19H19NO5S — CID 90849167

IUPAC5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid
SMILESO=C(O)CCCCOc1ccc(Cc2sc(=O)[nH]c2O)c2ccccc12
InChIInChI=1S/C19H19NO5S/c21-17(22)7-3-4-10-25-15-9-8-12(13-5-1-2-6-14(13)15)11-16-18(23)20-19(24)26-16/h1-2,5-6,8-9,23H,3-4,7,10-11H2,(H,20,24)(H,21,22)
InChIKeyRAVGTXXYKWSAGV-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.52
Rot. Bonds8

About 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid

5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid (PubChem CID 90849167) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid.

Molecular Properties

Compound Name5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid
PubChem CID90849167
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid
SMILESO=C(O)CCCCOc1ccc(Cc2sc(=O)[nH]c2O)c2ccccc12
InChIInChI=1S/C19H19NO5S/c21-17(22)7-3-4-10-25-15-9-8-12(13-5-1-2-6-14(13)15)11-16-18(23)20-19(24)26-16/h1-2,5-6,8-9,23H,3-4,7,10-11H2,(H,20,24)(H,21,22)
InChIKeyRAVGTXXYKWSAGV-UHFFFAOYSA-N
XLogP3.52
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 54485036
5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid;ethane
CID 142911098
7-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]naphthalen-1-yl]oxyheptanoic acid
CID 71156408
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
4-(4-ethoxynaphthalen-1-yl)butanoic acid
CID 82263167
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
5-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxypentanoic acid
CID 87217229
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
8-[4-[(Z)-(4-hydroxy-2-oxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-1-yl]oxyoctanoic acid
CID 142938483

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid?
The IUPAC name of 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid (CID 90849167) is 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid.
What is the SMILES notation for 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid?
The canonical SMILES for 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid is O=C(O)CCCCOc1ccc(Cc2sc(=O)[nH]c2O)c2ccccc12.
What is the InChIKey of 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid?
The InChIKey is RAVGTXXYKWSAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c21-17(22)7-3-4-10-25-15-9-8-12(13-5-1-2-6-14(13)15)11-16-18(23)20-19(24)26-16/h1-2,5-6,8-9,23H,3-4,7,10-11H2,(H,20,24)(H,21,22).
What are the key properties of 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid?
5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid has a molecular weight of 373.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid is sourced from PubChem (CID 90849167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).