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

C12H7N3O2S — CID 727885

IUPAC(2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1cnn2c(=O)/c(=C\c3ccccc3)sc2n1
InChIInChI=1S/C12H7N3O2S/c16-10-7-13-15-11(17)9(18-12(15)14-10)6-8-4-2-1-3-5-8/h1-7H/b9-6+
InChIKeyOZRAZROUYKGAOU-RMKNXTFCSA-N
MW257.27 g/mol
LogP0.06
Rot. Bonds1

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

(2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 727885) has the molecular formula C12H7N3O2S and a molecular weight of 257.27 g/mol. Its IUPAC name is (2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID727885
Molecular FormulaC12H7N3O2S
Molecular Weight257.27 g/mol
Exact Mass257.03
IUPAC Name(2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1cnn2c(=O)/c(=C\c3ccccc3)sc2n1
InChIInChI=1S/C12H7N3O2S/c16-10-7-13-15-11(17)9(18-12(15)14-10)6-8-4-2-1-3-5-8/h1-7H/b9-6+
InChIKeyOZRAZROUYKGAOU-RMKNXTFCSA-N
XLogP0.06
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 727885) is (2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is O=c1cnn2c(=O)/c(=C\c3ccccc3)sc2n1.
What is the InChIKey of (2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is OZRAZROUYKGAOU-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H7N3O2S/c16-10-7-13-15-11(17)9(18-12(15)14-10)6-8-4-2-1-3-5-8/h1-7H/b9-6+.
What are the key properties of (2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 257.27 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 727885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).