4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid

C11H7ClFNO3S — CID 102989826

IUPAC4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(F)cc1Oc1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C11H7ClFNO3S/c1-5-2-3-6(13)4-7(5)17-11-14-9(12)8(18-11)10(15)16/h2-4H,1H3,(H,15,16)
InChIKeyUHOQVBSBVZXCOE-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.73
Rot. Bonds3

About 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid

4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid (PubChem CID 102989826) has the molecular formula C11H7ClFNO3S and a molecular weight of 287.70 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid
PubChem CID102989826
Molecular FormulaC11H7ClFNO3S
Molecular Weight287.70 g/mol
Exact Mass286.98
IUPAC Name4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(F)cc1Oc1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C11H7ClFNO3S/c1-5-2-3-6(13)4-7(5)17-11-14-9(12)8(18-11)10(15)16/h2-4H,1H3,(H,15,16)
InChIKeyUHOQVBSBVZXCOE-UHFFFAOYSA-N
XLogP3.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-hydroxyphenoxy)-1,3-thiazole-5-carboxylic acid
CID 117258721
4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid
CID 80692390
4-chloro-2-(2-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 80692186
methyl 4-chloro-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole-5-carboxylate
CID 64854826
2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107555050
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550
2-(4-bromo-2-nitrophenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid
CID 80692092
2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53215227
methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
CID 54915221
2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid
CID 80692779
4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid
CID 80693318
(5-fluoro-2-methylphenyl) carbonochloridate
CID 102989757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid (CID 102989826) is 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid is Cc1ccc(F)cc1Oc1nc(Cl)c(C(=O)O)s1.
What is the InChIKey of 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid?
The InChIKey is UHOQVBSBVZXCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO3S/c1-5-2-3-6(13)4-7(5)17-11-14-9(12)8(18-11)10(15)16/h2-4H,1H3,(H,15,16).
What are the key properties of 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid?
4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid has a molecular weight of 287.70 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 102989826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).