2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid

C17H20N2O4S — CID 162360505

IUPAC2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid
SMILESCc1ccc(-c2csc(N3CCOCC3)n2)c(OCC(=O)O)c1C
InChIInChI=1S/C17H20N2O4S/c1-11-3-4-13(16(12(11)2)23-9-15(20)21)14-10-24-17(18-14)19-5-7-22-8-6-19/h3-4,10H,5-9H2,1-2H3,(H,20,21)
InChIKeyWKRWINWZWDTWOC-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.73
Rot. Bonds5

About 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid

2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid (PubChem CID 162360505) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid
PubChem CID162360505
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid
SMILESCc1ccc(-c2csc(N3CCOCC3)n2)c(OCC(=O)O)c1C
InChIInChI=1S/C17H20N2O4S/c1-11-3-4-13(16(12(11)2)23-9-15(20)21)14-10-24-17(18-14)19-5-7-22-8-6-19/h3-4,10H,5-9H2,1-2H3,(H,20,21)
InChIKeyWKRWINWZWDTWOC-UHFFFAOYSA-N
XLogP2.73
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetate
CID 162360599
2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
CID 167513347
2-[2,3-dimethyl-6-[2-[2-(oxan-4-yl)ethyl]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 166859027
tert-butyl N-[8-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]octyl]carbamate
CID 171565050
2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate
CID 155011874
2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 166755042
9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid
CID 171565171
4-[[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]cyclobutyl]amino]-4-oxobutanoic acid
CID 167512997
6-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]hexyl N-tert-butylcarbamate
CID 175187545
5-[[2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pentanamide
CID 170265159
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole
CID 23741861

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid (CID 162360505) is 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid is Cc1ccc(-c2csc(N3CCOCC3)n2)c(OCC(=O)O)c1C.
What is the InChIKey of 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid?
The InChIKey is WKRWINWZWDTWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-3-4-13(16(12(11)2)23-9-15(20)21)14-10-24-17(18-14)19-5-7-22-8-6-19/h3-4,10H,5-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid?
2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid has a molecular weight of 348.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid is sourced from PubChem (CID 162360505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).