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

C11H7F2NO3S — CID 62785193

IUPAC4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(COc2cc(F)cc(F)c2)cs1
InChIInChI=1S/C11H7F2NO3S/c12-6-1-7(13)3-9(2-6)17-4-8-5-18-10(14-8)11(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyIPCZPRLKOBAVJN-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.70
Rot. Bonds4

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

4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 62785193) has the molecular formula C11H7F2NO3S and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID62785193
Molecular FormulaC11H7F2NO3S
Molecular Weight271.24 g/mol
Exact Mass271.01
IUPAC Name4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(COc2cc(F)cc(F)c2)cs1
InChIInChI=1S/C11H7F2NO3S/c12-6-1-7(13)3-9(2-6)17-4-8-5-18-10(14-8)11(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyIPCZPRLKOBAVJN-UHFFFAOYSA-N
XLogP2.70
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-3-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 65203970
4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102980015
4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
CID 64600945
4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 114267798
4-[(4-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664197
4-[(3-acetamidophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664317
4-[(3-methylsulfonylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43806800
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
4-[[2-(3,5-difluorophenyl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103249016
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid
CID 102721454
4-[(4-methoxy-3-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 103201513

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid (CID 62785193) is 4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(COc2cc(F)cc(F)c2)cs1.
What is the InChIKey of 4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is IPCZPRLKOBAVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3S/c12-6-1-7(13)3-9(2-6)17-4-8-5-18-10(14-8)11(15)16/h1-3,5H,4H2,(H,15,16).
What are the key properties of 4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 271.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 62785193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).