5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C26H25NO5S — CID 91144260

IUPAC5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCCOc1cc(OCC)cc(-c2cccc(Oc3ccc(Cc4sc(=O)[nH]c4O)cc3)c2)c1
InChIInChI=1S/C26H25NO5S/c1-3-30-22-14-19(15-23(16-22)31-4-2)18-6-5-7-21(13-18)32-20-10-8-17(9-11-20)12-24-25(28)27-26(29)33-24/h5-11,13-16,28H,3-4,12H2,1-2H3,(H,27,29)
InChIKeyRLRIQDZWPKWEQH-UHFFFAOYSA-N
MW463.56 g/mol
LogP5.99
Rot. Bonds9

About 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 91144260) has the molecular formula C26H25NO5S and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID91144260
Molecular FormulaC26H25NO5S
Molecular Weight463.56 g/mol
Exact Mass463.15
IUPAC Name5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCCOc1cc(OCC)cc(-c2cccc(Oc3ccc(Cc4sc(=O)[nH]c4O)cc3)c2)c1
InChIInChI=1S/C26H25NO5S/c1-3-30-22-14-19(15-23(16-22)31-4-2)18-6-5-7-21(13-18)32-20-10-8-17(9-11-20)12-24-25(28)27-26(29)33-24/h5-11,13-16,28H,3-4,12H2,1-2H3,(H,27,29)
InChIKeyRLRIQDZWPKWEQH-UHFFFAOYSA-N
XLogP5.99
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934058
2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide
CID 90895076
5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91934015
4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one
CID 91934024
5-[(4-hexoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54287264
4-hydroxy-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90835967
2-(4-butoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide
CID 91612828
4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934034
methyl 2-[2-[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]-4-methylphenyl]prop-2-enoate
CID 91543651
4-hydroxy-5-[[4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 123370768
4-hydroxy-5-[[4-[3-[(E)-1-(4-phenylphenyl)ethylideneamino]oxypropoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91931263
tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate
CID 91430904

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 91144260) is 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is CCOc1cc(OCC)cc(-c2cccc(Oc3ccc(Cc4sc(=O)[nH]c4O)cc3)c2)c1.
What is the InChIKey of 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is RLRIQDZWPKWEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5S/c1-3-30-22-14-19(15-23(16-22)31-4-2)18-6-5-7-21(13-18)32-20-10-8-17(9-11-20)12-24-25(28)27-26(29)33-24/h5-11,13-16,28H,3-4,12H2,1-2H3,(H,27,29).
What are the key properties of 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 463.56 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91144260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).