N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide

C17H19FN4OS — CID 7531049

IUPACN-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C17H19FN4OS/c1-2-3-7-15(23)19-9-8-14-11-24-17-20-16(21-22(14)17)12-5-4-6-13(18)10-12/h4-6,10-11H,2-3,7-9H2,1H3,(H,19,23)
InChIKeyFXYQPNWMQXWFBS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.45
Rot. Bonds7

About N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide

N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide (PubChem CID 7531049) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide
PubChem CID7531049
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC NameN-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C17H19FN4OS/c1-2-3-7-15(23)19-9-8-14-11-24-17-20-16(21-22(14)17)12-5-4-6-13(18)10-12/h4-6,10-11H,2-3,7-9H2,1H3,(H,19,23)
InChIKeyFXYQPNWMQXWFBS-UHFFFAOYSA-N
XLogP3.45
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate
CID 7531111
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-[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'-(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-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide
CID 7216216
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-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide
CID 18564770
N'-(4-ethylphenyl)-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564808
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
2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216157
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-phenyloxamide
CID 7216247

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide (CID 7531049) is N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide is CCCCC(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide?
The InChIKey is FXYQPNWMQXWFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-2-3-7-15(23)19-9-8-14-11-24-17-20-16(21-22(14)17)12-5-4-6-13(18)10-12/h4-6,10-11H,2-3,7-9H2,1H3,(H,19,23).
What are the key properties of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide?
N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide has a molecular weight of 346.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide is sourced from PubChem (CID 7531049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).