4,5-dimethoxy-1-benzothiophene-2-carbohydrazide

C11H12N2O3S — CID 102534229

IUPAC4,5-dimethoxy-1-benzothiophene-2-carbohydrazide
SMILESCOc1ccc2sc(C(=O)NN)cc2c1OC
InChIInChI=1S/C11H12N2O3S/c1-15-7-3-4-8-6(10(7)16-2)5-9(17-8)11(14)13-12/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyMYGSEZWIRDQOJW-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.52
Rot. Bonds3

About 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide

4,5-dimethoxy-1-benzothiophene-2-carbohydrazide (PubChem CID 102534229) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dimethoxy-1-benzothiophene-2-carbohydrazide
PubChem CID102534229
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name4,5-dimethoxy-1-benzothiophene-2-carbohydrazide
SMILESCOc1ccc2sc(C(=O)NN)cc2c1OC
InChIInChI=1S/C11H12N2O3S/c1-15-7-3-4-8-6(10(7)16-2)5-9(17-8)11(14)13-12/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyMYGSEZWIRDQOJW-UHFFFAOYSA-N
XLogP1.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide (CID 102534229) is 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide is COc1ccc2sc(C(=O)NN)cc2c1OC.
What is the InChIKey of 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide?
The InChIKey is MYGSEZWIRDQOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-15-7-3-4-8-6(10(7)16-2)5-9(17-8)11(14)13-12/h3-5H,12H2,1-2H3,(H,13,14).
What are the key properties of 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide?
4,5-dimethoxy-1-benzothiophene-2-carbohydrazide has a molecular weight of 252.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 102534229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).