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

C17H13N3O3S — CID 709994

IUPAC8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCCOc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C17H13N3O3S/c1-2-23-12-8-9-13-14(10-12)24-16-18-15(21)19(17(22)20(13)16)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyFFODJFITZJHCBW-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.46
Rot. Bonds3

About 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione

8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (PubChem CID 709994) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.

Molecular Properties

Compound Name8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
PubChem CID709994
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCCOc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C17H13N3O3S/c1-2-23-12-8-9-13-14(10-12)24-16-18-15(21)19(17(22)20(13)16)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyFFODJFITZJHCBW-UHFFFAOYSA-N
XLogP2.46
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The IUPAC name of 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (CID 709994) is 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.
What is the SMILES notation for 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The canonical SMILES for 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is CCOc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12.
What is the InChIKey of 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The InChIKey is FFODJFITZJHCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-2-23-12-8-9-13-14(10-12)24-16-18-15(21)19(17(22)20(13)16)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione has a molecular weight of 339.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is sourced from PubChem (CID 709994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).