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

C22H18N6O2S2 — CID 139060818

IUPAC6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESO=c1nc2n(nc1-c1ccccc1)CCS2.O=c1nc2n(nc1-c1ccccc1)CCS2
InChIInChI=1S/2C11H9N3OS/c2*15-10-9(8-4-2-1-3-5-8)13-14-6-7-16-11(14)12-10/h2*1-5H,6-7H2
InChIKeyODWFERLJXFRVDE-UHFFFAOYSA-N
MW462.56 g/mol
LogP2.82
Rot. Bonds2

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

6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 139060818) has the molecular formula C22H18N6O2S2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID139060818
Molecular FormulaC22H18N6O2S2
Molecular Weight462.56 g/mol
Exact Mass462.09
IUPAC Name6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESO=c1nc2n(nc1-c1ccccc1)CCS2.O=c1nc2n(nc1-c1ccccc1)CCS2
InChIInChI=1S/2C11H9N3OS/c2*15-10-9(8-4-2-1-3-5-8)13-14-6-7-16-11(14)12-10/h2*1-5H,6-7H2
InChIKeyODWFERLJXFRVDE-UHFFFAOYSA-N
XLogP2.82
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-Phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 13169728
3-Phenyl-6,7-dihydro-4h-1,3-thiazolo[2,3-c][1,2,4]triazin-4-one
CID 139060819
6-Benzyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 13269428
6-Phenyl-2-(phenylmethylene)-1,3-thiazolidino[3,2-b]1,2,4-triazine-3,7-dione
CID 16462481
2-Benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 23992039
3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]-6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 135676707
3-[(6-benzyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 135692906
6-methyl-3-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 135713272
6-benzyl-3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 135798921

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 139060818) is 6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is O=c1nc2n(nc1-c1ccccc1)CCS2.O=c1nc2n(nc1-c1ccccc1)CCS2.
What is the InChIKey of 6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is ODWFERLJXFRVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9N3OS/c2*15-10-9(8-4-2-1-3-5-8)13-14-6-7-16-11(14)12-10/h2*1-5H,6-7H2.
What are the key properties of 6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 462.56 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 139060818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).