2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid

C12H8FN3O2S — CID 98020595

IUPAC2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(-c3ccccc3F)nn12
InChIInChI=1S/C12H8FN3O2S/c13-9-4-2-1-3-8(9)11-14-12-16(15-11)7(6-19-12)5-10(17)18/h1-4,6H,5H2,(H,17,18)
InChIKeyGIHGTXGXYQZSGD-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.22
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid

2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid (PubChem CID 98020595) has the molecular formula C12H8FN3O2S and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid
PubChem CID98020595
Molecular FormulaC12H8FN3O2S
Molecular Weight277.28 g/mol
Exact Mass277.03
IUPAC Name2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(-c3ccccc3F)nn12
InChIInChI=1S/C12H8FN3O2S/c13-9-4-2-1-3-8(9)11-14-12-16(15-11)7(6-19-12)5-10(17)18/h1-4,6H,5H2,(H,17,18)
InChIKeyGIHGTXGXYQZSGD-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

N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-methoxyacetamide
CID 7531010
methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
CID 7531042
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7530978
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclopentanecarboxamide
CID 7530989
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 20965931
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20965885
5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 44976706
N'-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 20965935
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 20965821
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71806052
[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 82486972
2-[6-(2,3-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 103695141

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid (CID 98020595) is 2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid is O=C(O)Cc1csc2nc(-c3ccccc3F)nn12.
What is the InChIKey of 2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid?
The InChIKey is GIHGTXGXYQZSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2S/c13-9-4-2-1-3-8(9)11-14-12-16(15-11)7(6-19-12)5-10(17)18/h1-4,6H,5H2,(H,17,18).
What are the key properties of 2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid?
2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-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-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid is sourced from PubChem (CID 98020595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).