5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid

C12H7FN4O2S — CID 82220746

IUPAC5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2nccs2)c1-c1ccc(F)cc1
InChIInChI=1S/C12H7FN4O2S/c13-8-3-1-7(2-4-8)10-9(11(18)19)15-16-17(10)12-14-5-6-20-12/h1-6H,(H,18,19)
InChIKeyRQSOLYPFLBHGFK-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.23
Rot. Bonds3

About 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid

5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid (PubChem CID 82220746) has the molecular formula C12H7FN4O2S and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
PubChem CID82220746
Molecular FormulaC12H7FN4O2S
Molecular Weight290.28 g/mol
Exact Mass290.03
IUPAC Name5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2nccs2)c1-c1ccc(F)cc1
InChIInChI=1S/C12H7FN4O2S/c13-8-3-1-7(2-4-8)10-9(11(18)19)15-16-17(10)12-14-5-6-20-12/h1-6H,(H,18,19)
InChIKeyRQSOLYPFLBHGFK-UHFFFAOYSA-N
XLogP2.23
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 82220753
5-(3-amino-4-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 82220764
1-ethyl-5-(4-fluorophenyl)triazole-4-carboxylic acid
CID 82207145
5-cyclohexyl-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 82220736
5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220879
1-(3,5-difluorophenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768653
1-(5-chloro-2,4-dimethoxyphenyl)-5-(4-fluorophenyl)triazole-4-carboxylic acid
CID 58731018
5-(4-chlorophenyl)-1-(5-fluoro-2-methylphenyl)triazole-4-carboxylic acid
CID 56768812
5-(4-fluorophenyl)-1-pentan-3-yltriazole-4-carboxylic acid
CID 102644341
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
5-(4-fluorophenyl)-1-(2-hydroxy-2-methylbutyl)triazole-4-carboxylic acid
CID 102644347
5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82220819

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid (CID 82220746) is 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid is O=C(O)c1nnn(-c2nccs2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid?
The InChIKey is RQSOLYPFLBHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2S/c13-8-3-1-7(2-4-8)10-9(11(18)19)15-16-17(10)12-14-5-6-20-12/h1-6H,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid?
5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 82220746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).