N'-(2-phenylacetyl)thiophene-2-carbohydrazide

C13H12N2O2S — CID 691947

IUPACN'-(2-phenylacetyl)thiophene-2-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C13H12N2O2S/c16-12(9-10-5-2-1-3-6-10)14-15-13(17)11-7-4-8-18-11/h1-8H,9H2,(H,14,16)(H,15,17)
InChIKeyUFLWIEYYYVLDOB-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.75
Rot. Bonds3

About N'-(2-phenylacetyl)thiophene-2-carbohydrazide

N'-(2-phenylacetyl)thiophene-2-carbohydrazide (PubChem CID 691947) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-(2-phenylacetyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-phenylacetyl)thiophene-2-carbohydrazide
PubChem CID691947
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN'-(2-phenylacetyl)thiophene-2-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C13H12N2O2S/c16-12(9-10-5-2-1-3-6-10)14-15-13(17)11-7-4-8-18-11/h1-8H,9H2,(H,14,16)(H,15,17)
InChIKeyUFLWIEYYYVLDOB-UHFFFAOYSA-N
XLogP1.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.75
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'-(2-phenylacetyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2-phenylacetyl)thiophene-2-carbohydrazide (CID 691947) is N'-(2-phenylacetyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-phenylacetyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-phenylacetyl)thiophene-2-carbohydrazide is O=C(Cc1ccccc1)NNC(=O)c1cccs1.
What is the InChIKey of N'-(2-phenylacetyl)thiophene-2-carbohydrazide?
The InChIKey is UFLWIEYYYVLDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-12(9-10-5-2-1-3-6-10)14-15-13(17)11-7-4-8-18-11/h1-8H,9H2,(H,14,16)(H,15,17).
What are the key properties of N'-(2-phenylacetyl)thiophene-2-carbohydrazide?
N'-(2-phenylacetyl)thiophene-2-carbohydrazide has a molecular weight of 260.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylacetyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 691947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).