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

C24H19NO4S — CID 46230235

IUPAC2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)sc2CC(=O)O)cc1
InChIInChI=1S/C24H19NO4S/c1-28-18-11-7-16(8-12-18)23-21(15-22(26)27)30-24(25-23)17-9-13-20(14-10-17)29-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,26,27)
InChIKeyLQZPMNBKIAFLLB-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.91
Rot. Bonds7

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

2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 46230235) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID46230235
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)sc2CC(=O)O)cc1
InChIInChI=1S/C24H19NO4S/c1-28-18-11-7-16(8-12-18)23-21(15-22(26)27)30-24(25-23)17-9-13-20(14-10-17)29-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,26,27)
InChIKeyLQZPMNBKIAFLLB-UHFFFAOYSA-N
XLogP5.91
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chloro-3-phosphanylphenyl)-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 122490676
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-[2-(4-butoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 20993428
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 7303255
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 6450669
methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
CID 1472843
2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 20987349
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 11561470
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid (CID 46230235) is 2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid is COc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is LQZPMNBKIAFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-28-18-11-7-16(8-12-18)23-21(15-22(26)27)30-24(25-23)17-9-13-20(14-10-17)29-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,26,27).
What are the key properties of 2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 417.49 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46230235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).