3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione

C15H9N3O2S — CID 2802078

IUPAC3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESO=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H9N3O2S/c19-13-16-14-18(11-8-4-5-9-12(11)21-14)15(20)17(13)10-6-2-1-3-7-10/h1-9H
InChIKeyFCPXRIBIDATENX-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.06
Rot. Bonds1

About 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione

3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (PubChem CID 2802078) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.

Molecular Properties

Compound Name3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
PubChem CID2802078
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESO=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H9N3O2S/c19-13-16-14-18(11-8-4-5-9-12(11)21-14)15(20)17(13)10-6-2-1-3-7-10/h1-9H
InChIKeyFCPXRIBIDATENX-UHFFFAOYSA-N
XLogP2.06
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The IUPAC name of 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (CID 2802078) is 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.
What is the SMILES notation for 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The canonical SMILES for 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The InChIKey is FCPXRIBIDATENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c19-13-16-14-18(11-8-4-5-9-12(11)21-14)15(20)17(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione has a molecular weight of 295.32 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is sourced from PubChem (CID 2802078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).