2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

C14H14FNO3S — CID 107922554

IUPAC2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCOc1cc(-c2nc(C(C)(C)C(=O)O)cs2)ccc1F
InChIInChI=1S/C14H14FNO3S/c1-14(2,13(17)18)11-7-20-12(16-11)8-4-5-9(15)10(6-8)19-3/h4-7H,1-3H3,(H,17,18)
InChIKeyJIAHLOJSPJXBPW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.32
Rot. Bonds4

About 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (PubChem CID 107922554) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
PubChem CID107922554
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCOc1cc(-c2nc(C(C)(C)C(=O)O)cs2)ccc1F
InChIInChI=1S/C14H14FNO3S/c1-14(2,13(17)18)11-7-20-12(16-11)8-4-5-9(15)10(6-8)19-3/h4-7H,1-3H3,(H,17,18)
InChIKeyJIAHLOJSPJXBPW-UHFFFAOYSA-N
XLogP3.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 107923260
2-methyl-2-[2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-yl]propanoic acid
CID 107920304
4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 114016215
2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 99604658
2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 94707671
ethyl 2-[2-(3-fluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 136813601
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115787104
2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515913
(Z)-3-methoxy-2-[2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]prop-2-enoic acid
CID 155059500
5-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 91229568
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
CID 102943492

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (CID 107922554) is 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is COc1cc(-c2nc(C(C)(C)C(=O)O)cs2)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The InChIKey is JIAHLOJSPJXBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-14(2,13(17)18)11-7-20-12(16-11)8-4-5-9(15)10(6-8)19-3/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 107922554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).