3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

C17H11N3OS — CID 13269426

IUPAC3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESO=c1nc2scc(-c3ccccc3)n2nc1-c1ccccc1
InChIInChI=1S/C17H11N3OS/c21-16-15(13-9-5-2-6-10-13)19-20-14(11-22-17(20)18-16)12-7-3-1-4-8-12/h1-11H
InChIKeyYOEQUJMBVKICGX-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.48
Rot. Bonds2

About 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 13269426) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID13269426
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESO=c1nc2scc(-c3ccccc3)n2nc1-c1ccccc1
InChIInChI=1S/C17H11N3OS/c21-16-15(13-9-5-2-6-10-13)19-20-14(11-22-17(20)18-16)12-7-3-1-4-8-12/h1-11H
InChIKeyYOEQUJMBVKICGX-UHFFFAOYSA-N
XLogP3.48
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 976285
6-Phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 13169728
6-methyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 783803
6-(4-Bromophenyl)-3-phenyl-7h-thiazolo[3,2-b][1,2,4]triazin-7-one
CID 129822884
6-(4-Bromophenyl)-3-(4-methylphenyl)-7h-thiazolo [3,2-b][1,2,4]triazin-7-one
CID 129824758
6-Methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 2310877
6-(4-Chlorobenzyl)-3-(4-chlorophenyl)-7h-thiazolo[3,2-b][1,2,4]triazin-7-one
CID 73056625
3-(4-Bromophenyl)-6-phenyl-7h-thiazolo[3,2-b][1,2,4]triazin-7-one
CID 129822882
6-Benzyl-3-(4-bromophenyl)-7h-thiazolo[3,2-b][1,2,4]triazin-7-one
CID 129840808
6-Benzyl-3-(4-chlorophenyl)-7h-thiazolo[3,2-b][1,2,4]triazin-7-one
CID 129840852
6-Benzyl-3-phenylthiazolo[3,2-b][1,2,4]triazin-7-one
CID 129841051
3,7-diphenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 8073177

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 13269426) is 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is O=c1nc2scc(-c3ccccc3)n2nc1-c1ccccc1.
What is the InChIKey of 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is YOEQUJMBVKICGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-16-15(13-9-5-2-6-10-13)19-20-14(11-22-17(20)18-16)12-7-3-1-4-8-12/h1-11H.
What are the key properties of 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 305.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 13269426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).