3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione

C17H13N3O3S — CID 71599156

IUPAC3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCOc1ccc2c(c1)sc1nc(=O)n(Cc3ccccc3)c(=O)n12
InChIInChI=1S/C17H13N3O3S/c1-23-12-7-8-13-14(9-12)24-16-18-15(21)19(17(22)20(13)16)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyFPZGTGYOLCSMTI-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.13
Rot. Bonds3

About 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione

3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (PubChem CID 71599156) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.

Molecular Properties

Compound Name3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
PubChem CID71599156
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCOc1ccc2c(c1)sc1nc(=O)n(Cc3ccccc3)c(=O)n12
InChIInChI=1S/C17H13N3O3S/c1-23-12-7-8-13-14(9-12)24-16-18-15(21)19(17(22)20(13)16)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyFPZGTGYOLCSMTI-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The IUPAC name of 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (CID 71599156) is 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.
What is the SMILES notation for 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The canonical SMILES for 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is COc1ccc2c(c1)sc1nc(=O)n(Cc3ccccc3)c(=O)n12.
What is the InChIKey of 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The InChIKey is FPZGTGYOLCSMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-23-12-7-8-13-14(9-12)24-16-18-15(21)19(17(22)20(13)16)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione has a molecular weight of 339.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is sourced from PubChem (CID 71599156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).