2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid

C11H8FNO3S — CID 53215227

IUPAC2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Oc2cccc(F)c2)sc1C(=O)O
InChIInChI=1S/C11H8FNO3S/c1-6-9(10(14)15)17-11(13-6)16-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,14,15)
InChIKeyREAVCSSEPFBPCR-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.08
Rot. Bonds3

About 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 53215227) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID53215227
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Oc2cccc(F)c2)sc1C(=O)O
InChIInChI=1S/C11H8FNO3S/c1-6-9(10(14)15)17-11(13-6)16-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,14,15)
InChIKeyREAVCSSEPFBPCR-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 53215227) is 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(Oc2cccc(F)c2)sc1C(=O)O.
What is the InChIKey of 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is REAVCSSEPFBPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c1-6-9(10(14)15)17-11(13-6)16-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic 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 2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 53215227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).