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

C25H20FNO3S — CID 46229853

IUPAC2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1-c1ccccc1Cc1nc(-c2ccc(F)cc2)c(CC(=O)O)s1
InChIInChI=1S/C25H20FNO3S/c1-30-21-9-5-4-8-20(21)19-7-3-2-6-17(19)14-23-27-25(22(31-23)15-24(28)29)16-10-12-18(26)13-11-16/h2-13H,14-15H2,1H3,(H,28,29)
InChIKeyWVRKJDUKGPVBQD-UHFFFAOYSA-N
MW433.50 g/mol
LogP5.84
Rot. Bonds7

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

2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 46229853) has the molecular formula C25H20FNO3S and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID46229853
Molecular FormulaC25H20FNO3S
Molecular Weight433.50 g/mol
Exact Mass433.11
IUPAC Name2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1-c1ccccc1Cc1nc(-c2ccc(F)cc2)c(CC(=O)O)s1
InChIInChI=1S/C25H20FNO3S/c1-30-21-9-5-4-8-20(21)19-7-3-2-6-17(19)14-23-27-25(22(31-23)15-24(28)29)16-10-12-18(26)13-11-16/h2-13H,14-15H2,1H3,(H,28,29)
InChIKeyWVRKJDUKGPVBQD-UHFFFAOYSA-N
XLogP5.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid with MolForge

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Related Compounds

2-(2-(Bis(4-methoxyphenyl)amino)-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660291
(S)-2-(5-(2-(5-methyl-2-p-tolylthiazol-4-yl)ethoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 44442452
2-[4-(4-Methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 772515
3-{4-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-propionic acid
CID 9823501
3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-propionic acid
CID 9845832
(S)-2-(5-(2-(2-(4-isopropylphenyl)-5-methylthiazol-4-yl)ethoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 10274664
2-(4-(4-Chlorophenyl)-2-((4-methoxyphenyl)(phenyl)methyl)thiazol-5-yl)acetic acid
CID 11561470
2-(2-Benzhydryl-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11611100
2-(2-Benzhydryl-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 11611101
2-(2-(Bis(4-methoxyphenyl)methyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11648347
2-(4-(4-Fluorophenyl)-2-((4-methoxyphenyl)(phenyl)methyl)thiazol-5-yl)acetic acid
CID 11697751
{4-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-acetic acid
CID 22727983

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid (CID 46229853) is 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid is COc1ccccc1-c1ccccc1Cc1nc(-c2ccc(F)cc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is WVRKJDUKGPVBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO3S/c1-30-21-9-5-4-8-20(21)19-7-3-2-6-17(19)14-23-27-25(22(31-23)15-24(28)29)16-10-12-18(26)13-11-16/h2-13H,14-15H2,1H3,(H,28,29).
What are the key properties of 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 433.50 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-[[2-(2-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46229853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).