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

C10H5ClFNO3S — CID 22481654

IUPAC4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H5ClFNO3S/c11-6-3-5(1-2-7(6)12)16-9-8(10(14)15)17-4-13-9/h1-4H,(H,14,15)
InChIKeyZOYRRYDPGILHKX-UHFFFAOYSA-N
MW273.67 g/mol
LogP3.43
Rot. Bonds3

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

4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid (PubChem CID 22481654) has the molecular formula C10H5ClFNO3S and a molecular weight of 273.67 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid
PubChem CID22481654
Molecular FormulaC10H5ClFNO3S
Molecular Weight273.67 g/mol
Exact Mass272.97
IUPAC Name4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H5ClFNO3S/c11-6-3-5(1-2-7(6)12)16-9-8(10(14)15)17-4-13-9/h1-4H,(H,14,15)
InChIKeyZOYRRYDPGILHKX-UHFFFAOYSA-N
XLogP3.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid (CID 22481654) is 4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid is O=C(O)c1scnc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZOYRRYDPGILHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO3S/c11-6-3-5(1-2-7(6)12)16-9-8(10(14)15)17-4-13-9/h1-4H,(H,14,15).
What are the key properties of 4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid?
4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid has a molecular weight of 273.67 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 22481654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).