N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide

C14H12N4O2S — CID 976200

IUPACN-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nn2c(C)csc2nc1=O
InChIInChI=1S/C14H12N4O2S/c1-8-7-21-14-16-13(20)12(17-18(8)14)10-5-3-4-6-11(10)15-9(2)19/h3-7H,1-2H3,(H,15,19)
InChIKeyLOPCOIGBYCYKAJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.08
Rot. Bonds2

About N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide

N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide (PubChem CID 976200) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide
PubChem CID976200
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nn2c(C)csc2nc1=O
InChIInChI=1S/C14H12N4O2S/c1-8-7-21-14-16-13(20)12(17-18(8)14)10-5-3-4-6-11(10)15-9(2)19/h3-7H,1-2H3,(H,15,19)
InChIKeyLOPCOIGBYCYKAJ-UHFFFAOYSA-N
XLogP2.08
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 7197225
N-{2-[5-Hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-YL]phenyl}acetamide
CID 135460602
N-{2-[3-(allylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135406746
N-{2-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-6-yl]phenyl}butanamide
CID 135427605
6-(2-Aminophenyl)-3-(propylthio)-1,2,4-triazin-5(4H)-one
CID 135449242
N-{2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135428287
N-{2-[3-(ethylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}acetamide
CID 135467358
6-(2-aminophenyl)-3-(ethylthio)-1,2,4-triazin-5(4H)-one
CID 135470833
6-(2-Aminophenyl)-3-(heptylthio)-1,2,4-triazin-5-ol
CID 135472747
6-(2-aminophenyl)-3-(pentylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135478952
N-[2-(3-butylsulfanyl-5-oxo-2H-1,2,4-triazin-6-yl)phenyl]acetamide
CID 135401722
N-{2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}butanamide
CID 135425360

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide?
The IUPAC name of N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide (CID 976200) is N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide is CC(=O)Nc1ccccc1-c1nn2c(C)csc2nc1=O.
What is the InChIKey of N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide?
The InChIKey is LOPCOIGBYCYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-7-21-14-16-13(20)12(17-18(8)14)10-5-3-4-6-11(10)15-9(2)19/h3-7H,1-2H3,(H,15,19).
What are the key properties of N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide?
N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide has a molecular weight of 300.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 976200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).