1-benzothiophene-2-carbohydrazide

C9H8N2OS — CID 519437

IUPAC1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C9H8N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-5H,10H2,(H,11,12)
InChIKeyZXKPFIRPUUAAPQ-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.50
Rot. Bonds1

About 1-benzothiophene-2-carbohydrazide

1-benzothiophene-2-carbohydrazide (PubChem CID 519437) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name1-benzothiophene-2-carbohydrazide
PubChem CID519437
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C9H8N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-5H,10H2,(H,11,12)
InChIKeyZXKPFIRPUUAAPQ-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzothiophene-2-carbohydrazide 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 1-benzothiophene-2-carbohydrazide?
The IUPAC name of 1-benzothiophene-2-carbohydrazide (CID 519437) is 1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 1-benzothiophene-2-carbohydrazide is NNC(=O)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophene-2-carbohydrazide?
The InChIKey is ZXKPFIRPUUAAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-5H,10H2,(H,11,12).
What are the key properties of 1-benzothiophene-2-carbohydrazide?
1-benzothiophene-2-carbohydrazide has a molecular weight of 192.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 519437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).