5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid

C14H7ClFNO3S — CID 63356026

IUPAC5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3c(F)cccc3Cl)n2)c1
InChIInChI=1S/C14H7ClFNO3S/c15-8-2-1-3-9(16)12(8)13-17-10(6-21-13)11-4-7(5-20-11)14(18)19/h1-6H,(H,18,19)
InChIKeyPQVLSJULOOQZIM-UHFFFAOYSA-N
MW323.73 g/mol
LogP4.56
Rot. Bonds3

About 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid

5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 63356026) has the molecular formula C14H7ClFNO3S and a molecular weight of 323.73 g/mol. Its IUPAC name is 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID63356026
Molecular FormulaC14H7ClFNO3S
Molecular Weight323.73 g/mol
Exact Mass322.98
IUPAC Name5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3c(F)cccc3Cl)n2)c1
InChIInChI=1S/C14H7ClFNO3S/c15-8-2-1-3-9(16)12(8)13-17-10(6-21-13)11-4-7(5-20-11)14(18)19/h1-6H,(H,18,19)
InChIKeyPQVLSJULOOQZIM-UHFFFAOYSA-N
XLogP4.56
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 63356026) is 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is O=C(O)c1coc(-c2csc(-c3c(F)cccc3Cl)n2)c1.
What is the InChIKey of 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is PQVLSJULOOQZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO3S/c15-8-2-1-3-9(16)12(8)13-17-10(6-21-13)11-4-7(5-20-11)14(18)19/h1-6H,(H,18,19).
What are the key properties of 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 323.73 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 63356026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).