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

C12H11N3OS — CID 13269428

IUPAC6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESO=c1nc2n(nc1Cc1ccccc1)CCS2
InChIInChI=1S/C12H11N3OS/c16-11-10(8-9-4-2-1-3-5-9)14-15-6-7-17-12(15)13-11/h1-5H,6-8H2
InChIKeyOENCFVBTFSKYLU-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.33
Rot. Bonds2

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

6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 13269428) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID13269428
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESO=c1nc2n(nc1Cc1ccccc1)CCS2
InChIInChI=1S/C12H11N3OS/c16-11-10(8-9-4-2-1-3-5-9)14-15-6-7-17-12(15)13-11/h1-5H,6-8H2
InChIKeyOENCFVBTFSKYLU-UHFFFAOYSA-N
XLogP1.33
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.33
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-Benzyl-2-benzylidene-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 92274050
(2Z)-6-benzyl-2-benzylidene-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 6270693
6-Phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 13169728
6-benzyl-2-(3-phenyl-2-propen-1-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 2139319
2-(3-Methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)-5,6-dihydro-4h-1,3-thiazin-4-one
CID 12077091
3-Phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CID 13169722
6,8,8-Trimethyl-2-phenyl-7,8-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazepin-3(2H)-one
CID 371388
2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
CID 560500
6-Phenyl-2,3-dihydro-7h-1,3-thiazolo[3,2-b][1,2,4]triazin-7-one
CID 139060818
7-(Aminomethyl)-3-[(4-fluorophenyl)methyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 82554875
7-Methyl-3-phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CID 13203734

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 13269428) is 6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is O=c1nc2n(nc1Cc1ccccc1)CCS2.
What is the InChIKey of 6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is OENCFVBTFSKYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-11-10(8-9-4-2-1-3-5-9)14-15-6-7-17-12(15)13-11/h1-5H,6-8H2.
What are the key properties of 6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 245.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 13269428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).