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

C16H11N3O2S — CID 754910

IUPAC8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C16H11N3O2S/c1-10-7-8-12-13(9-10)22-15-17-14(20)18(16(21)19(12)15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyNNUDMBJPMQWRIZ-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.37
Rot. Bonds1

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

8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (PubChem CID 754910) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
PubChem CID754910
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C16H11N3O2S/c1-10-7-8-12-13(9-10)22-15-17-14(20)18(16(21)19(12)15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyNNUDMBJPMQWRIZ-UHFFFAOYSA-N
XLogP2.37
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The IUPAC name of 8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (CID 754910) is 8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.
What is the SMILES notation for 8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The canonical SMILES for 8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is Cc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12.
What is the InChIKey of 8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The InChIKey is NNUDMBJPMQWRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-10-7-8-12-13(9-10)22-15-17-14(20)18(16(21)19(12)15)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione has a molecular weight of 309.35 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is sourced from PubChem (CID 754910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).