6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione

C16H10N4O3S — CID 67884073

IUPAC6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Oc2nc3ccccc3s2)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C16H10N4O3S/c21-14-18-13(19-15(22)20(14)10-6-2-1-3-7-10)23-16-17-11-8-4-5-9-12(11)24-16/h1-9H,(H,18,19,21,22)
InChIKeyUULWNWDKWDRKQX-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.32
Rot. Bonds3

About 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione

6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione (PubChem CID 67884073) has the molecular formula C16H10N4O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione
PubChem CID67884073
Molecular FormulaC16H10N4O3S
Molecular Weight338.35 g/mol
Exact Mass338.05
IUPAC Name6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Oc2nc3ccccc3s2)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C16H10N4O3S/c21-14-18-13(19-15(22)20(14)10-6-2-1-3-7-10)23-16-17-11-8-4-5-9-12(11)24-16/h1-9H,(H,18,19,21,22)
InChIKeyUULWNWDKWDRKQX-UHFFFAOYSA-N
XLogP2.32
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione (CID 67884073) is 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione is O=c1nc(Oc2nc3ccccc3s2)[nH]c(=O)n1-c1ccccc1.
What is the InChIKey of 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione?
The InChIKey is UULWNWDKWDRKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3S/c21-14-18-13(19-15(22)20(14)10-6-2-1-3-7-10)23-16-17-11-8-4-5-9-12(11)24-16/h1-9H,(H,18,19,21,22).
What are the key properties of 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione?
6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione has a molecular weight of 338.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 67884073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).