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

C20H16FNO3S — CID 6450670

IUPAC2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(/C=C/c2nc(-c3ccc(F)cc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C20H16FNO3S/c1-25-16-9-2-13(3-10-16)4-11-18-22-20(17(26-18)12-19(23)24)14-5-7-15(21)8-6-14/h2-11H,12H2,1H3,(H,23,24)/b11-4+
InChIKeyHNGYSXHJRHQWBB-NYYWCZLTSA-N
MW369.42 g/mol
LogP4.76
Rot. Bonds6

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

2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 6450670) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID6450670
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(/C=C/c2nc(-c3ccc(F)cc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C20H16FNO3S/c1-25-16-9-2-13(3-10-16)4-11-18-22-20(17(26-18)12-19(23)24)14-5-7-15(21)8-6-14/h2-11H,12H2,1H3,(H,23,24)/b11-4+
InChIKeyHNGYSXHJRHQWBB-NYYWCZLTSA-N
XLogP4.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid (CID 6450670) is 2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid is COc1ccc(/C=C/c2nc(-c3ccc(F)cc3)c(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is HNGYSXHJRHQWBB-NYYWCZLTSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-25-16-9-2-13(3-10-16)4-11-18-22-20(17(26-18)12-19(23)24)14-5-7-15(21)8-6-14/h2-11H,12H2,1H3,(H,23,24)/b11-4+.
What are the key properties of 2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 4.76, 6 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-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 6450670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).