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

C15H17FN4S — CID 82166818

IUPAC5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
SMILESNCCCCCc1nnc2scc(-c3ccc(F)cc3)n12
InChIInChI=1S/C15H17FN4S/c16-12-7-5-11(6-8-12)13-10-21-15-19-18-14(20(13)15)4-2-1-3-9-17/h5-8,10H,1-4,9,17H2
InChIKeyZIYOVKYFTOJEIV-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.27
Rot. Bonds6

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

5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine (PubChem CID 82166818) has the molecular formula C15H17FN4S and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
PubChem CID82166818
Molecular FormulaC15H17FN4S
Molecular Weight304.39 g/mol
Exact Mass304.12
IUPAC Name5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
SMILESNCCCCCc1nnc2scc(-c3ccc(F)cc3)n12
InChIInChI=1S/C15H17FN4S/c16-12-7-5-11(6-8-12)13-10-21-15-19-18-14(20(13)15)4-2-1-3-9-17/h5-8,10H,1-4,9,17H2
InChIKeyZIYOVKYFTOJEIV-UHFFFAOYSA-N
XLogP3.27
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid
CID 82166820
2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166795
3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine
CID 82166846
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062511
2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine
CID 82166922
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
CID 82058709
3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 86260022
[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196558
[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196560
[3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82061918
2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194944

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine?
The IUPAC name of 5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine (CID 82166818) is 5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine?
The canonical SMILES for 5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine is NCCCCCc1nnc2scc(-c3ccc(F)cc3)n12.
What is the InChIKey of 5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine?
The InChIKey is ZIYOVKYFTOJEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4S/c16-12-7-5-11(6-8-12)13-10-21-15-19-18-14(20(13)15)4-2-1-3-9-17/h5-8,10H,1-4,9,17H2.
What are the key properties of 5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine?
5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine has a molecular weight of 304.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine is sourced from PubChem (CID 82166818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).