2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid

C20H19NO5S — CID 25017057

IUPAC2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1cccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)c1
InChIInChI=1S/C20H19NO5S/c1-13-8-16(6-7-18(13)26-11-20(22)23)25-10-19-21-17(12-27-19)14-4-3-5-15(9-14)24-2/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyUYWJMLDPFYHEQH-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.17
Rot. Bonds8

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

2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (PubChem CID 25017057) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
PubChem CID25017057
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1cccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)c1
InChIInChI=1S/C20H19NO5S/c1-13-8-16(6-7-18(13)26-11-20(22)23)25-10-19-21-17(12-27-19)14-4-3-5-15(9-14)24-2/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyUYWJMLDPFYHEQH-UHFFFAOYSA-N
XLogP4.17
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 25016807
ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate
CID 58956181
2-[4-[[5-(4-bromophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956125
2-[4-[[4-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956043
2-[4-[[4-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956095
2-[5-(4-methoxyphenyl)-2-methyl-4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
CID 16734024
2-[4-[[5-[(E)-4-methoxypent-3-en-2-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid;prop-1-ene
CID 143147332
2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402749
2-[2-methyl-4-[[5-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
CID 58956215
2-[2-methyl-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenoxy]acetic acid
CID 155529382
2-[4-[[4-(3-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956102
2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 44627944

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (CID 25017057) is 2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is COc1cccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)c1.
What is the InChIKey of 2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The InChIKey is UYWJMLDPFYHEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-13-8-16(6-7-18(13)26-11-20(22)23)25-10-19-21-17(12-27-19)14-4-3-5-15(9-14)24-2/h3-9,12H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid has a molecular weight of 385.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 25017057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).