4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid

C11H7ClFNO3S — CID 114267798

IUPAC4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(COc2ccc(Cl)cc2F)cs1
InChIInChI=1S/C11H7ClFNO3S/c12-6-1-2-9(8(13)3-6)17-4-7-5-18-10(14-7)11(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyZGAZLTQSCIQXGL-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.21
Rot. Bonds4

About 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid

4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 114267798) has the molecular formula C11H7ClFNO3S and a molecular weight of 287.70 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID114267798
Molecular FormulaC11H7ClFNO3S
Molecular Weight287.70 g/mol
Exact Mass286.98
IUPAC Name4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(COc2ccc(Cl)cc2F)cs1
InChIInChI=1S/C11H7ClFNO3S/c12-6-1-2-9(8(13)3-6)17-4-7-5-18-10(14-7)11(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyZGAZLTQSCIQXGL-UHFFFAOYSA-N
XLogP3.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-2-chlorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664287
4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102980015
4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 62785193
4-[(4-bromo-3-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 65203970
4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
CID 64600945
sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate
CID 23678184
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
4-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 43664392
4-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 62645923
4-[(5-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102702537

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid (CID 114267798) is 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(COc2ccc(Cl)cc2F)cs1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is ZGAZLTQSCIQXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO3S/c12-6-1-2-9(8(13)3-6)17-4-7-5-18-10(14-7)11(15)16/h1-3,5H,4H2,(H,15,16).
What are the key properties of 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 287.70 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 114267798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).