(7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C18H15N3OS — CID 794768

IUPAC(7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C\c2ccccc2)sc2n1CN(c1ccccc1)CN=2
InChIInChI=1S/C18H15N3OS/c22-17-16(11-14-7-3-1-4-8-14)23-18-19-12-20(13-21(17)18)15-9-5-2-6-10-15/h1-11H,12-13H2/b16-11+
InChIKeyNHBNLSULIWRYBK-LFIBNONCSA-N
MW321.41 g/mol
LogP1.79
Rot. Bonds2

About (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

(7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 794768) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID794768
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name(7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C\c2ccccc2)sc2n1CN(c1ccccc1)CN=2
InChIInChI=1S/C18H15N3OS/c22-17-16(11-14-7-3-1-4-8-14)23-18-19-12-20(13-21(17)18)15-9-5-2-6-10-15/h1-11H,12-13H2/b16-11+
InChIKeyNHBNLSULIWRYBK-LFIBNONCSA-N
XLogP1.79
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 794768) is (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is O=c1/c(=C\c2ccccc2)sc2n1CN(c1ccccc1)CN=2.
What is the InChIKey of (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is NHBNLSULIWRYBK-LFIBNONCSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-17-16(11-14-7-3-1-4-8-14)23-18-19-12-20(13-21(17)18)15-9-5-2-6-10-15/h1-11H,12-13H2/b16-11+.
What are the key properties of (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 321.41 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 794768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).