4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid

C12H10FNO3S — CID 102980015

IUPAC4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCc1ccc(F)cc1OCc1csc(C(=O)O)n1
InChIInChI=1S/C12H10FNO3S/c1-7-2-3-8(13)4-10(7)17-5-9-6-18-11(14-9)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyRGIDEYOEHLICOU-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.87
Rot. Bonds4

About 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid

4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 102980015) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID102980015
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCc1ccc(F)cc1OCc1csc(C(=O)O)n1
InChIInChI=1S/C12H10FNO3S/c1-7-2-3-8(13)4-10(7)17-5-9-6-18-11(14-9)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyRGIDEYOEHLICOU-UHFFFAOYSA-N
XLogP2.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 62785193
4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 114267798
3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
CID 60722313
4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102982901
4-[(4-bromo-2-chlorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664287
4-[(4-bromo-3-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 65203970
4-[(5-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102702537
4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575285
4-[(3-acetamidophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664317
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 107014172

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid (CID 102980015) is 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid is Cc1ccc(F)cc1OCc1csc(C(=O)O)n1.
What is the InChIKey of 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is RGIDEYOEHLICOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-7-2-3-8(13)4-10(7)17-5-9-6-18-11(14-9)12(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 102980015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).