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

C13H11N3OS — CID 2310877

IUPAC6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1ccc(-c2csc3nc(=O)c(C)nn23)cc1
InChIInChI=1S/C13H11N3OS/c1-8-3-5-10(6-4-8)11-7-18-13-14-12(17)9(2)15-16(11)13/h3-7H,1-2H3
InChIKeyNFMIFRQAIYQCGU-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.43
Rot. Bonds1

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

6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 2310877) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID2310877
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1ccc(-c2csc3nc(=O)c(C)nn23)cc1
InChIInChI=1S/C13H11N3OS/c1-8-3-5-10(6-4-8)11-7-18-13-14-12(17)9(2)15-16(11)13/h3-7H,1-2H3
InChIKeyNFMIFRQAIYQCGU-UHFFFAOYSA-N
XLogP2.43
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.43
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-Methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide
CID 6602873
2-(3-Methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)-1,3-thiazol-4(5h)-one
CID 11161257
2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 620883
7-methyl-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 319066
6-methyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 783803
2-Methyl-7-phenyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
CID 618314
2-(3-Methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)-5,6-dihydro-4h-1,3-thiazin-4-one
CID 12077091
6,8,8-Trimethyl-3-(4-methylphenyl)-7,8-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazepine
CID 371384
6-Benzyl-3-phenylthiazolo[3,2-b][1,2,4]triazin-7-one
CID 129841051
3-(4-Fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 21178839
7-Methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 319067

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 2310877) is 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is Cc1ccc(-c2csc3nc(=O)c(C)nn23)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is NFMIFRQAIYQCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-3-5-10(6-4-8)11-7-18-13-14-12(17)9(2)15-16(11)13/h3-7H,1-2H3.
What are the key properties of 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 257.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 2310877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).