3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

C19H15N3OS — CID 141198279

IUPAC3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1ccc(-c2csc3nc(=O)c(-c4ccccc4)nn23)c(C)c1
InChIInChI=1S/C19H15N3OS/c1-12-8-9-15(13(2)10-12)16-11-24-19-20-18(23)17(21-22(16)19)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyHUARVYAIVAZETO-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.10
Rot. Bonds2

About 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 141198279) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID141198279
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1ccc(-c2csc3nc(=O)c(-c4ccccc4)nn23)c(C)c1
InChIInChI=1S/C19H15N3OS/c1-12-8-9-15(13(2)10-12)16-11-24-19-20-18(23)17(21-22(16)19)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyHUARVYAIVAZETO-UHFFFAOYSA-N
XLogP4.10
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 141198279) is 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is Cc1ccc(-c2csc3nc(=O)c(-c4ccccc4)nn23)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is HUARVYAIVAZETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-8-9-15(13(2)10-12)16-11-24-19-20-18(23)17(21-22(16)19)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 333.42 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 141198279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).