5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one

C20H19NO4S — CID 123451977

IUPAC5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one
SMILESCOc1ccc(C(=O)COc2ccc(Cc3sc(=O)[nH]c3C)cc2)cc1
InChIInChI=1S/C20H19NO4S/c1-13-19(26-20(23)21-13)11-14-3-7-17(8-4-14)25-12-18(22)15-5-9-16(24-2)10-6-15/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeySMXFAGGTSFWHLV-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.61
Rot. Bonds7

About 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one

5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 123451977) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one
PubChem CID123451977
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one
SMILESCOc1ccc(C(=O)COc2ccc(Cc3sc(=O)[nH]c3C)cc2)cc1
InChIInChI=1S/C20H19NO4S/c1-13-19(26-20(23)21-13)11-14-3-7-17(8-4-14)25-12-18(22)15-5-9-16(24-2)10-6-15/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeySMXFAGGTSFWHLV-UHFFFAOYSA-N
XLogP3.61
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90835967
4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one
CID 123382630
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 15831364
6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 121005750
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone
CID 20677050
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
CID 57391481

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one (CID 123451977) is 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one is COc1ccc(C(=O)COc2ccc(Cc3sc(=O)[nH]c3C)cc2)cc1.
What is the InChIKey of 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is SMXFAGGTSFWHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-13-19(26-20(23)21-13)11-14-3-7-17(8-4-14)25-12-18(22)15-5-9-16(24-2)10-6-15/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one?
5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 369.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 123451977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).