[1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate

C26H24N2O5S — CID 54257430

IUPAC[1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate
SMILESCCc1ccc(C(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)OC(=O)c2ccccc2)nc1
InChIInChI=1S/C26H24N2O5S/c1-2-17-10-13-21(27-15-17)22(33-25(30)19-6-4-3-5-7-19)16-32-20-11-8-18(9-12-20)14-23-24(29)28-26(31)34-23/h3-13,15,22,29H,2,14,16H2,1H3,(H,28,31)
InChIKeyRBBPSOOJYUPOOM-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.67
Rot. Bonds9

About [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate

[1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate (PubChem CID 54257430) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate.

Molecular Properties

Compound Name[1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate
PubChem CID54257430
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name[1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate
SMILESCCc1ccc(C(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)OC(=O)c2ccccc2)nc1
InChIInChI=1S/C26H24N2O5S/c1-2-17-10-13-21(27-15-17)22(33-25(30)19-6-4-3-5-7-19)16-32-20-11-8-18(9-12-20)14-23-24(29)28-26(31)34-23/h3-13,15,22,29H,2,14,16H2,1H3,(H,28,31)
InChIKeyRBBPSOOJYUPOOM-UHFFFAOYSA-N
XLogP4.67
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate with MolForge

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Related Compounds

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ethyl 1-(methylnitroso)-3-phenyl-6-(pyridin-2-ylmethoxy)-1H-indene-2-carboxylate
CID 11690159
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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CID 2132776
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CID 9981757
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CID 10648889
5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 18316599
5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651403
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Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate?
The IUPAC name of [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate (CID 54257430) is [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate.
What is the SMILES notation for [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate?
The canonical SMILES for [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate is CCc1ccc(C(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)OC(=O)c2ccccc2)nc1.
What is the InChIKey of [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate?
The InChIKey is RBBPSOOJYUPOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-2-17-10-13-21(27-15-17)22(33-25(30)19-6-4-3-5-7-19)16-32-20-11-8-18(9-12-20)14-23-24(29)28-26(31)34-23/h3-13,15,22,29H,2,14,16H2,1H3,(H,28,31).
What are the key properties of [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate?
[1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate has a molecular weight of 476.55 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] benzoate is sourced from PubChem (CID 54257430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).