2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid

C30H25NO5S — CID 44627944

IUPAC2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C30H25NO5S/c1-19-16-23(14-15-26(19)36-18-28(32)33)35-17-27-31-29(21-10-12-22(34-2)13-11-21)30(37-27)25-9-5-7-20-6-3-4-8-24(20)25/h3-16H,17-18H2,1-2H3,(H,32,33)
InChIKeyYGJIZLUQVPBHKD-UHFFFAOYSA-N
MW511.60 g/mol
LogP6.99
Rot. Bonds9

About 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid

2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (PubChem CID 44627944) has the molecular formula C30H25NO5S and a molecular weight of 511.60 g/mol. Its IUPAC name is 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
PubChem CID44627944
Molecular FormulaC30H25NO5S
Molecular Weight511.60 g/mol
Exact Mass511.15
IUPAC Name2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C30H25NO5S/c1-19-16-23(14-15-26(19)36-18-28(32)33)35-17-27-31-29(21-10-12-22(34-2)13-11-21)30(37-27)25-9-5-7-20-6-3-4-8-24(20)25/h3-16H,17-18H2,1-2H3,(H,32,33)
InChIKeyYGJIZLUQVPBHKD-UHFFFAOYSA-N
XLogP6.99
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid with MolForge

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Related Compounds

2-[2-methyl-4-[[5-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
CID 58956215
2-[4-[[4-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956095
2-[4-[[4-(4-ethoxyphenyl)-5-naphthalen-2-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58955988
2-[4-[[4-(3-chloro-4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58955975
2-[4-[[5-(4-bromophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956125
2-[4-[[5-(4-ethylsulfonylphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956085
2-[4-[[4-(3-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956102
2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
CID 58956141
2-[4-[[4-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956043
2-[4-[[5-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58955943
2-[2-methyl-4-[[5-(4-phenylphenyl)-4-(4-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
CID 58956128
2-[2-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
CID 44626696

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (CID 44627944) is 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The InChIKey is YGJIZLUQVPBHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO5S/c1-19-16-23(14-15-26(19)36-18-28(32)33)35-17-27-31-29(21-10-12-22(34-2)13-11-21)30(37-27)25-9-5-7-20-6-3-4-8-24(20)25/h3-16H,17-18H2,1-2H3,(H,32,33).
What are the key properties of 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid has a molecular weight of 511.60 g/mol, XLogP of 6.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 44627944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).