(2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C13H8BrN3O2S — CID 2188391

IUPAC(2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCc1nn2c(=O)/c(=C/c3ccccc3Br)sc2nc1=O
InChIInChI=1S/C13H8BrN3O2S/c1-7-11(18)15-13-17(16-7)12(19)10(20-13)6-8-4-2-3-5-9(8)14/h2-6H,1H3/b10-6-
InChIKeyHVWNVMVSSDMZDZ-POHAHGRESA-N
MW350.20 g/mol
LogP1.13
Rot. Bonds1

About (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2188391) has the molecular formula C13H8BrN3O2S and a molecular weight of 350.20 g/mol. Its IUPAC name is (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2188391
Molecular FormulaC13H8BrN3O2S
Molecular Weight350.20 g/mol
Exact Mass348.95
IUPAC Name(2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCc1nn2c(=O)/c(=C/c3ccccc3Br)sc2nc1=O
InChIInChI=1S/C13H8BrN3O2S/c1-7-11(18)15-13-17(16-7)12(19)10(20-13)6-8-4-2-3-5-9(8)14/h2-6H,1H3/b10-6-
InChIKeyHVWNVMVSSDMZDZ-POHAHGRESA-N
XLogP1.13
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2188391) is (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is Cc1nn2c(=O)/c(=C/c3ccccc3Br)sc2nc1=O.
What is the InChIKey of (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is HVWNVMVSSDMZDZ-POHAHGRESA-N. The full InChI is InChI=1S/C13H8BrN3O2S/c1-7-11(18)15-13-17(16-7)12(19)10(20-13)6-8-4-2-3-5-9(8)14/h2-6H,1H3/b10-6-.
What are the key properties of (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 350.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2188391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).