2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid

C23H24N2O5S — CID 10138146

IUPAC2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)s2)cc1
InChIInChI=1S/C23H24N2O5S/c1-14-19(31-21(25-14)16-7-11-17(29-4)12-8-16)20(26)24-13-15-5-9-18(10-6-15)30-23(2,3)22(27)28/h5-12H,13H2,1-4H3,(H,24,26)(H,27,28)
InChIKeyYEOXYRRBJIVFMU-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.30
Rot. Bonds8

About 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid

2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid (PubChem CID 10138146) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid
PubChem CID10138146
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)s2)cc1
InChIInChI=1S/C23H24N2O5S/c1-14-19(31-21(25-14)16-7-11-17(29-4)12-8-16)20(26)24-13-15-5-9-18(10-6-15)30-23(2,3)22(27)28/h5-12H,13H2,1-4H3,(H,24,26)(H,27,28)
InChIKeyYEOXYRRBJIVFMU-UHFFFAOYSA-N
XLogP4.30
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid with MolForge

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Related Compounds

2-Methyl-2-(4-(((4-methyl-2-(4-trifluoromethylphenyl)-thiazol-5-ylcarbonyl)amino)methyl)phenoxy)propionic acid
CID 9956726
2-Methyl-2-{4-[({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}formamido)methyl]phenoxy}propanoic acid
CID 10116561
2-Methyl-2-phenoxypropanoic acid, 27
CID 10141305
2-[4-({[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]formamido}methyl)phenoxy]-2-methylpropanoic acid
CID 10159635
2-[4-({[2-(4-Tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]formamido}methyl)phenoxy]-2-methylpropanoic acid
CID 10162063
2-Methyl-2-{4-[2-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}formamido)ethyl]phenoxy}propanoic acid
CID 10163556
2-[4-({[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]formamido}methyl)phenoxy]-2-methylpropanoic acid
CID 10275334
2-Methyl-2-[4-({[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]formamido}methyl)phenoxy]propanoic acid
CID 10280116
2-Methyl-2-[4-({[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]formamido}methyl)phenoxy]propanoic acid
CID 10297943
2-Methyl-2-{4-[({4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl}formamido)methyl]phenoxy}propanoic acid
CID 10300279
2-Methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amino]methyl}phenoxy)propanoic acid
CID 16109190
2-Methyl-2-{4-[({4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}formamido)methyl]phenoxy}propanoic acid
CID 16109209

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid (CID 10138146) is 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid is COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)s2)cc1.
What is the InChIKey of 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is YEOXYRRBJIVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-14-19(31-21(25-14)16-7-11-17(29-4)12-8-16)20(26)24-13-15-5-9-18(10-6-15)30-23(2,3)22(27)28/h5-12H,13H2,1-4H3,(H,24,26)(H,27,28).
What are the key properties of 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid?
2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 440.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 10138146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).