N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide

C16H14N4O3S — CID 2815535

IUPACN'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide
SMILESCOc1cccc(CC(=O)NNC(=O)c2ccc3nsnc3c2)c1
InChIInChI=1S/C16H14N4O3S/c1-23-12-4-2-3-10(7-12)8-15(21)17-18-16(22)11-5-6-13-14(9-11)20-24-19-13/h2-7,9H,8H2,1H3,(H,17,21)(H,18,22)
InChIKeyIHXOCNOGUZJDSB-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.70
Rot. Bonds4

About N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide

N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide (PubChem CID 2815535) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide
PubChem CID2815535
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide
SMILESCOc1cccc(CC(=O)NNC(=O)c2ccc3nsnc3c2)c1
InChIInChI=1S/C16H14N4O3S/c1-23-12-4-2-3-10(7-12)8-15(21)17-18-16(22)11-5-6-13-14(9-11)20-24-19-13/h2-7,9H,8H2,1H3,(H,17,21)(H,18,22)
InChIKeyIHXOCNOGUZJDSB-UHFFFAOYSA-N
XLogP1.70
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-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 N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide (CID 2815535) is N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide is COc1cccc(CC(=O)NNC(=O)c2ccc3nsnc3c2)c1.
What is the InChIKey of N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide?
The InChIKey is IHXOCNOGUZJDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-23-12-4-2-3-10(7-12)8-15(21)17-18-16(22)11-5-6-13-14(9-11)20-24-19-13/h2-7,9H,8H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide?
N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide has a molecular weight of 342.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenyl)acetyl]-2,1,3-benzothiadiazole-5-carbohydrazide is sourced from PubChem (CID 2815535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).