ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate

C22H23NO5S — CID 58956181

IUPACethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(OCc2nc(-c3ccc(OC)cc3)cs2)cc1C
InChIInChI=1S/C22H23NO5S/c1-4-26-22(24)13-28-20-10-9-18(11-15(20)2)27-12-21-23-19(14-29-21)16-5-7-17(25-3)8-6-16/h5-11,14H,4,12-13H2,1-3H3
InChIKeyCJHUBMJSSKGFAY-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.65
Rot. Bonds9

About ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate

ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate (PubChem CID 58956181) has the molecular formula C22H23NO5S and a molecular weight of 413.50 g/mol. Its IUPAC name is ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate
PubChem CID58956181
Molecular FormulaC22H23NO5S
Molecular Weight413.50 g/mol
Exact Mass413.13
IUPAC Nameethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(OCc2nc(-c3ccc(OC)cc3)cs2)cc1C
InChIInChI=1S/C22H23NO5S/c1-4-26-22(24)13-28-20-10-9-18(11-15(20)2)27-12-21-23-19(14-29-21)16-5-7-17(25-3)8-6-16/h5-11,14H,4,12-13H2,1-3H3
InChIKeyCJHUBMJSSKGFAY-UHFFFAOYSA-N
XLogP4.65
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 25017057
2-[4-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 25016807
2-[5-(4-methoxyphenyl)-2-methyl-4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
CID 16734024
ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 16566879
2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 20894871
2-[2-methyl-4-[4-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid
CID 16734234
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide
CID 118716727
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 23799741
ethyl 2-(4-iodo-2-methylphenoxy)acetate
CID 57361058
2-[4-[[5-(4-ethylsulfonylphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956085
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122
ethyl 2-[4-[[5-bromo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate
CID 58956150

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate?
The IUPAC name of ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate (CID 58956181) is ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate is CCOC(=O)COc1ccc(OCc2nc(-c3ccc(OC)cc3)cs2)cc1C.
What is the InChIKey of ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate?
The InChIKey is CJHUBMJSSKGFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S/c1-4-26-22(24)13-28-20-10-9-18(11-15(20)2)27-12-21-23-19(14-29-21)16-5-7-17(25-3)8-6-16/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate?
ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate has a molecular weight of 413.50 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate is sourced from PubChem (CID 58956181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).