(2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C19H13N3O2S — CID 6270693

IUPAC(2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1nc2s/c(=C\c3ccccc3)c(=O)n2nc1Cc1ccccc1
InChIInChI=1S/C19H13N3O2S/c23-17-15(11-13-7-3-1-4-8-13)21-22-18(24)16(25-19(22)20-17)12-14-9-5-2-6-10-14/h1-10,12H,11H2/b16-12-
InChIKeyIGZGJDDQGLGXQH-VBKFSLOCSA-N
MW347.40 g/mol
LogP1.65
Rot. Bonds3

About (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 6270693) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID6270693
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name(2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1nc2s/c(=C\c3ccccc3)c(=O)n2nc1Cc1ccccc1
InChIInChI=1S/C19H13N3O2S/c23-17-15(11-13-7-3-1-4-8-13)21-22-18(24)16(25-19(22)20-17)12-14-9-5-2-6-10-14/h1-10,12H,11H2/b16-12-
InChIKeyIGZGJDDQGLGXQH-VBKFSLOCSA-N
XLogP1.65
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_H(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 6270693) is (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is O=c1nc2s/c(=C\c3ccccc3)c(=O)n2nc1Cc1ccccc1.
What is the InChIKey of (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is IGZGJDDQGLGXQH-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-17-15(11-13-7-3-1-4-8-13)21-22-18(24)16(25-19(22)20-17)12-14-9-5-2-6-10-14/h1-10,12H,11H2/b16-12-.
What are the key properties of (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 347.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-benzyl-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 6270693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).