5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid

C11H8FNO3S — CID 115298178

IUPAC5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
SMILESCc1csc(Oc2ccc(F)cc2C(=O)O)n1
InChIInChI=1S/C11H8FNO3S/c1-6-5-17-11(13-6)16-9-3-2-7(12)4-8(9)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyRZHOBVUOAOQZIW-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.08
Rot. Bonds3

About 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid

5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid (PubChem CID 115298178) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
PubChem CID115298178
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
SMILESCc1csc(Oc2ccc(F)cc2C(=O)O)n1
InChIInChI=1S/C11H8FNO3S/c1-6-5-17-11(13-6)16-9-3-2-7(12)4-8(9)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyRZHOBVUOAOQZIW-UHFFFAOYSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61395722
4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61396038
2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzamide
CID 142116921
3-[(4-methyl-1,3-thiazol-2-yl)oxy]pyridine-2-carboxylic acid
CID 61396203
2-(2-fluorophenoxy)-4-methyl-1,3-thiazole
CID 117189207
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 107014172
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 83155338
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoic acid
CID 63293267
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 62961025
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
CID 66437150
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-fluorobenzoic acid
CID 105363223

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid?
The IUPAC name of 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid (CID 115298178) is 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid is Cc1csc(Oc2ccc(F)cc2C(=O)O)n1.
What is the InChIKey of 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid?
The InChIKey is RZHOBVUOAOQZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c1-6-5-17-11(13-6)16-9-3-2-7(12)4-8(9)10(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid?
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid has a molecular weight of 253.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid is sourced from PubChem (CID 115298178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).