N'-benzoylthiophene-2-carbohydrazide

C12H10N2O2S — CID 790437

IUPACN'-benzoylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H10N2O2S/c15-11(9-5-2-1-3-6-9)13-14-12(16)10-7-4-8-17-10/h1-8H,(H,13,15)(H,14,16)
InChIKeyRZGPCBWJMYHLET-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.82
Rot. Bonds2

About N'-benzoylthiophene-2-carbohydrazide

N'-benzoylthiophene-2-carbohydrazide (PubChem CID 790437) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is N'-benzoylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoylthiophene-2-carbohydrazide
PubChem CID790437
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC NameN'-benzoylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H10N2O2S/c15-11(9-5-2-1-3-6-9)13-14-12(16)10-7-4-8-17-10/h1-8H,(H,13,15)(H,14,16)
InChIKeyRZGPCBWJMYHLET-UHFFFAOYSA-N
XLogP1.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoylthiophene-2-carbohydrazide?
The IUPAC name of N'-benzoylthiophene-2-carbohydrazide (CID 790437) is N'-benzoylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-benzoylthiophene-2-carbohydrazide?
The canonical SMILES for N'-benzoylthiophene-2-carbohydrazide is O=C(NNC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N'-benzoylthiophene-2-carbohydrazide?
The InChIKey is RZGPCBWJMYHLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-11(9-5-2-1-3-6-9)13-14-12(16)10-7-4-8-17-10/h1-8H,(H,13,15)(H,14,16).
What are the key properties of N'-benzoylthiophene-2-carbohydrazide?
N'-benzoylthiophene-2-carbohydrazide has a molecular weight of 246.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoylthiophene-2-carbohydrazide is sourced from PubChem (CID 790437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).