2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid

C12H8FN3O2S — CID 82166820

IUPAC2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid
SMILESO=C(O)Cc1nnc2scc(-c3ccc(F)cc3)n12
InChIInChI=1S/C12H8FN3O2S/c13-8-3-1-7(2-4-8)9-6-19-12-15-14-10(16(9)12)5-11(17)18/h1-4,6H,5H2,(H,17,18)
InChIKeyAEHYRQJYYZUZJD-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.22
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid

2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid (PubChem CID 82166820) has the molecular formula C12H8FN3O2S and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid
PubChem CID82166820
Molecular FormulaC12H8FN3O2S
Molecular Weight277.28 g/mol
Exact Mass277.03
IUPAC Name2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid
SMILESO=C(O)Cc1nnc2scc(-c3ccc(F)cc3)n12
InChIInChI=1S/C12H8FN3O2S/c13-8-3-1-7(2-4-8)9-6-19-12-15-14-10(16(9)12)5-11(17)18/h1-4,6H,5H2,(H,17,18)
InChIKeyAEHYRQJYYZUZJD-UHFFFAOYSA-N
XLogP2.22
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
CID 82166818
3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82061917
2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768197
3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 86260022
[3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82061918
3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 44754715
N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 3223778
2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062239
2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 3223790
2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 649740
2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166795
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid (CID 82166820) is 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid is O=C(O)Cc1nnc2scc(-c3ccc(F)cc3)n12.
What is the InChIKey of 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid?
The InChIKey is AEHYRQJYYZUZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2S/c13-8-3-1-7(2-4-8)9-6-19-12-15-14-10(16(9)12)5-11(17)18/h1-4,6H,5H2,(H,17,18).
What are the key properties of 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid?
2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid has a molecular weight of 277.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid is sourced from PubChem (CID 82166820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).