N'-butylthiophene-2-carbohydrazide

C9H14N2OS — CID 142329690

IUPACN'-butylthiophene-2-carbohydrazide
SMILESCCCCNNC(=O)c1cccs1
InChIInChI=1S/C9H14N2OS/c1-2-3-6-10-11-9(12)8-5-4-7-13-8/h4-5,7,10H,2-3,6H2,1H3,(H,11,12)
InChIKeyIQWVCXCHLBGGRL-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.78
Rot. Bonds5

About N'-butylthiophene-2-carbohydrazide

N'-butylthiophene-2-carbohydrazide (PubChem CID 142329690) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N'-butylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-butylthiophene-2-carbohydrazide
PubChem CID142329690
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN'-butylthiophene-2-carbohydrazide
SMILESCCCCNNC(=O)c1cccs1
InChIInChI=1S/C9H14N2OS/c1-2-3-6-10-11-9(12)8-5-4-7-13-8/h4-5,7,10H,2-3,6H2,1H3,(H,11,12)
InChIKeyIQWVCXCHLBGGRL-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-butylthiophene-2-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'-butylthiophene-2-carbohydrazide?
The IUPAC name of N'-butylthiophene-2-carbohydrazide (CID 142329690) is N'-butylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-butylthiophene-2-carbohydrazide?
The canonical SMILES for N'-butylthiophene-2-carbohydrazide is CCCCNNC(=O)c1cccs1.
What is the InChIKey of N'-butylthiophene-2-carbohydrazide?
The InChIKey is IQWVCXCHLBGGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-3-6-10-11-9(12)8-5-4-7-13-8/h4-5,7,10H,2-3,6H2,1H3,(H,11,12).
What are the key properties of N'-butylthiophene-2-carbohydrazide?
N'-butylthiophene-2-carbohydrazide has a molecular weight of 198.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylthiophene-2-carbohydrazide is sourced from PubChem (CID 142329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).