2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid

C22H20FNO5S — CID 58541135

IUPAC2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cccc(F)c1Oc1cc(C)ccc1CC(=O)Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C22H20FNO5S/c1-13-6-7-14(9-16(25)11-20-24-15(12-30-20)10-21(26)27)19(8-13)29-22-17(23)4-3-5-18(22)28-2/h3-8,12H,9-11H2,1-2H3,(H,26,27)
InChIKeyNPZRLIKETZQCPR-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.37
Rot. Bonds9

About 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 58541135) has the molecular formula C22H20FNO5S and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID58541135
Molecular FormulaC22H20FNO5S
Molecular Weight429.47 g/mol
Exact Mass429.10
IUPAC Name2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cccc(F)c1Oc1cc(C)ccc1CC(=O)Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C22H20FNO5S/c1-13-6-7-14(9-16(25)11-20-24-15(12-30-20)10-21(26)27)19(8-13)29-22-17(23)4-3-5-18(22)28-2/h3-8,12H,9-11H2,1-2H3,(H,26,27)
InChIKeyNPZRLIKETZQCPR-UHFFFAOYSA-N
XLogP4.37
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-[2-[2-oxo-3-(2-phenoxyphenyl)propyl]-1,3-thiazol-4-yl]acetic acid
CID 58541221
methyl 6-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-oxohexanoate
CID 58541152
2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylic acid
CID 58541411
2-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148029
ethyl 2-[5-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3,4-thiadiazol-2-yl]acetate
CID 58541473
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 62308557
ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate
CID 58541231
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9169453
2-[2-[(N-ethyl-3-methylanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159567
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795128

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid (CID 58541135) is 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid is COc1cccc(F)c1Oc1cc(C)ccc1CC(=O)Cc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is NPZRLIKETZQCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5S/c1-13-6-7-14(9-16(25)11-20-24-15(12-30-20)10-21(26)27)19(8-13)29-22-17(23)4-3-5-18(22)28-2/h3-8,12H,9-11H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 429.47 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 58541135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).