5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one

C33H30N2O4S — CID 90844762

IUPAC5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one
SMILESCCc1ccc(CCOc2ccc(Cc3sc(=O)n(CC(=O)c4ccc(-c5ccccc5)cc4)c3O)cc2)nc1
InChIInChI=1S/C33H30N2O4S/c1-2-23-8-15-28(34-21-23)18-19-39-29-16-9-24(10-17-29)20-31-32(37)35(33(38)40-31)22-30(36)27-13-11-26(12-14-27)25-6-4-3-5-7-25/h3-17,21,37H,2,18-20,22H2,1H3
InChIKeyQWNZGMVNTPUQMH-UHFFFAOYSA-N
MW550.68 g/mol
LogP6.34
Rot. Bonds11

About 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one

5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one (PubChem CID 90844762) has the molecular formula C33H30N2O4S and a molecular weight of 550.68 g/mol. Its IUPAC name is 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one
PubChem CID90844762
Molecular FormulaC33H30N2O4S
Molecular Weight550.68 g/mol
Exact Mass550.19
IUPAC Name5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one
SMILESCCc1ccc(CCOc2ccc(Cc3sc(=O)n(CC(=O)c4ccc(-c5ccccc5)cc4)c3O)cc2)nc1
InChIInChI=1S/C33H30N2O4S/c1-2-23-8-15-28(34-21-23)18-19-39-29-16-9-24(10-17-29)20-31-32(37)35(33(38)40-31)22-30(36)27-13-11-26(12-14-27)25-6-4-3-5-7-25/h3-17,21,37H,2,18-20,22H2,1H3
InChIKeyQWNZGMVNTPUQMH-UHFFFAOYSA-N
XLogP6.34
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.68
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 461076
(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 40466907
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1-[4-[3-[4-(Pyridine-2-carbonyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one
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CID 71584601
(2R)-2-benzyl-3-[4-propoxy-3-[[(4-pyridin-3-ylbenzoyl)amino]methyl]phenyl]propanoic acid
CID 71584602
4-[4-[3-[4-[(3-Methyl-2-pyridinyl)methyl]piperazin-1-yl]propoxy]phenyl]benzamide
CID 91800615
Ketopioglitazone
CID 5201446
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]benzamide
CID 71185660
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-4-methylbenzamide
CID 71185860

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one (CID 90844762) is 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one is CCc1ccc(CCOc2ccc(Cc3sc(=O)n(CC(=O)c4ccc(-c5ccccc5)cc4)c3O)cc2)nc1.
What is the InChIKey of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one?
The InChIKey is QWNZGMVNTPUQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O4S/c1-2-23-8-15-28(34-21-23)18-19-39-29-16-9-24(10-17-29)20-31-32(37)35(33(38)40-31)22-30(36)27-13-11-26(12-14-27)25-6-4-3-5-7-25/h3-17,21,37H,2,18-20,22H2,1H3.
What are the key properties of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one?
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one has a molecular weight of 550.68 g/mol, XLogP of 6.34, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 90844762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).