2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C18H11N3O2S — CID 23992039

IUPAC2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1nc2sc(=Cc3ccccc3)c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C18H11N3O2S/c22-16-15(13-9-5-2-6-10-13)20-21-17(23)14(24-18(21)19-16)11-12-7-3-1-4-8-12/h1-11H
InChIKeyWXYMQVUYDMAINH-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.73
Rot. Bonds2

About 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 23992039) has the molecular formula C18H11N3O2S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID23992039
Molecular FormulaC18H11N3O2S
Molecular Weight333.37 g/mol
Exact Mass333.06
IUPAC Name2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1nc2sc(=Cc3ccccc3)c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C18H11N3O2S/c22-16-15(13-9-5-2-6-10-13)20-21-17(23)14(24-18(21)19-16)11-12-7-3-1-4-8-12/h1-11H
InChIKeyWXYMQVUYDMAINH-UHFFFAOYSA-N
XLogP1.73
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 23992039) is 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is O=c1nc2sc(=Cc3ccccc3)c(=O)n2nc1-c1ccccc1.
What is the InChIKey of 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is WXYMQVUYDMAINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2S/c22-16-15(13-9-5-2-6-10-13)20-21-17(23)14(24-18(21)19-16)11-12-7-3-1-4-8-12/h1-11H.
What are the key properties of 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 333.37 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 23992039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).