[2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate

C16H15FN4O3S — CID 7531111

IUPAC[2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C16H15FN4O3S/c1-10(22)24-8-14(23)18-6-5-13-9-25-16-19-15(20-21(13)16)11-3-2-4-12(17)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,18,23)
InChIKeyWPZFMZCBHQWICP-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.82
Rot. Bonds6

About [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate

[2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate (PubChem CID 7531111) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate
PubChem CID7531111
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC Name[2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C16H15FN4O3S/c1-10(22)24-8-14(23)18-6-5-13-9-25-16-19-15(20-21(13)16)11-3-2-4-12(17)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,18,23)
InChIKeyWPZFMZCBHQWICP-UHFFFAOYSA-N
XLogP1.82
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide
CID 7531049
3,4,5-triethoxy-N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 44976750
N'-(4-chlorophenyl)-N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 27548697
N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 75281546
N'-(3-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564712
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-methoxyacetamide
CID 7531010
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide
CID 18564770
2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564691
3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
2-(4-ethoxyphenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564677
N'-(4-ethylphenyl)-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564808
2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216157

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate?
The IUPAC name of [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate (CID 7531111) is [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate is CC(=O)OCC(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12.
What is the InChIKey of [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate?
The InChIKey is WPZFMZCBHQWICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-10(22)24-8-14(23)18-6-5-13-9-25-16-19-15(20-21(13)16)11-3-2-4-12(17)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,18,23).
What are the key properties of [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate?
[2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate has a molecular weight of 362.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate is sourced from PubChem (CID 7531111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).