(2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one

C11H8N4O3S2 — CID 59365775

IUPAC(2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one
SMILESCc1nsc(N/N=C2/C(=O)c3ccccc3S2(=O)=O)n1
InChIInChI=1S/C11H8N4O3S2/c1-6-12-11(19-15-6)14-13-10-9(16)7-4-2-3-5-8(7)20(10,17)18/h2-5H,1H3,(H,12,14,15)/b13-10-
InChIKeyJJORPFHWPZCOET-RAXLEYEMSA-N
MW308.34 g/mol
LogP1.24
Rot. Bonds2

About (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one

(2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one (PubChem CID 59365775) has the molecular formula C11H8N4O3S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one
PubChem CID59365775
Molecular FormulaC11H8N4O3S2
Molecular Weight308.34 g/mol
Exact Mass308.00
IUPAC Name(2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one
SMILESCc1nsc(N/N=C2/C(=O)c3ccccc3S2(=O)=O)n1
InChIInChI=1S/C11H8N4O3S2/c1-6-12-11(19-15-6)14-13-10-9(16)7-4-2-3-5-8(7)20(10,17)18/h2-5H,1H3,(H,12,14,15)/b13-10-
InChIKeyJJORPFHWPZCOET-RAXLEYEMSA-N
XLogP1.24
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_fives_B(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one 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-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one?
The IUPAC name of (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one (CID 59365775) is (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one.
What is the SMILES notation for (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one?
The canonical SMILES for (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one is Cc1nsc(N/N=C2/C(=O)c3ccccc3S2(=O)=O)n1.
What is the InChIKey of (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one?
The InChIKey is JJORPFHWPZCOET-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H8N4O3S2/c1-6-12-11(19-15-6)14-13-10-9(16)7-4-2-3-5-8(7)20(10,17)18/h2-5H,1H3,(H,12,14,15)/b13-10-.
What are the key properties of (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one?
(2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one has a molecular weight of 308.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1,1-dioxo-1-benzothiophen-3-one is sourced from PubChem (CID 59365775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).