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

C22H22N2O4S — CID 10179768

IUPAC2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C22H22N2O4S/c1-14-18(29-20(24-14)16-7-5-4-6-8-16)19(25)23-13-15-9-11-17(12-10-15)28-22(2,3)21(26)27/h4-12H,13H2,1-3H3,(H,23,25)(H,26,27)
InChIKeyNMTNWMOGBNXARY-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.29
Rot. Bonds7

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

2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid (PubChem CID 10179768) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid
PubChem CID10179768
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C22H22N2O4S/c1-14-18(29-20(24-14)16-7-5-4-6-8-16)19(25)23-13-15-9-11-17(12-10-15)28-22(2,3)21(26)27/h4-12H,13H2,1-3H3,(H,23,25)(H,26,27)
InChIKeyNMTNWMOGBNXARY-UHFFFAOYSA-N
XLogP4.29
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic 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-[4-({[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamido}methyl)phenoxy]-2-methylpropanoic acid
CID 10138146
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid (CID 10179768) is 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid is Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid?
The InChIKey is NMTNWMOGBNXARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-14-18(29-20(24-14)16-7-5-4-6-8-16)19(25)23-13-15-9-11-17(12-10-15)28-22(2,3)21(26)27/h4-12H,13H2,1-3H3,(H,23,25)(H,26,27).
What are the key properties of 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid?
2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid has a molecular weight of 410.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 10179768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).