N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide

C15H16N2OS — CID 139242060

IUPACN'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide
SMILESC=CCC(NNC(=O)c1ccccc1)c1ccsc1
InChIInChI=1S/C15H16N2OS/c1-2-6-14(13-9-10-19-11-13)16-17-15(18)12-7-4-3-5-8-12/h2-5,7-11,14,16H,1,6H2,(H,17,18)
InChIKeyJPIINICTYQQAGV-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.30
Rot. Bonds6

About N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide

N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide (PubChem CID 139242060) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide.

Molecular Properties

Compound NameN'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide
PubChem CID139242060
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide
SMILESC=CCC(NNC(=O)c1ccccc1)c1ccsc1
InChIInChI=1S/C15H16N2OS/c1-2-6-14(13-9-10-19-11-13)16-17-15(18)12-7-4-3-5-8-12/h2-5,7-11,14,16H,1,6H2,(H,17,18)
InChIKeyJPIINICTYQQAGV-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide?
The IUPAC name of N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide (CID 139242060) is N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide.
What is the SMILES notation for N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide?
The canonical SMILES for N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide is C=CCC(NNC(=O)c1ccccc1)c1ccsc1.
What is the InChIKey of N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide?
The InChIKey is JPIINICTYQQAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-6-14(13-9-10-19-11-13)16-17-15(18)12-7-4-3-5-8-12/h2-5,7-11,14,16H,1,6H2,(H,17,18).
What are the key properties of N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide?
N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide has a molecular weight of 272.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide is sourced from PubChem (CID 139242060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).