thiophene-3-carbohydrazide;hydrochloride

C5H7ClN2OS — CID 45050986

IUPACthiophene-3-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccsc1
InChIInChI=1S/C5H6N2OS.ClH/c6-7-5(8)4-1-2-9-3-4;/h1-3H,6H2,(H,7,8);1H
InChIKeyGDLYOYJFNGWUPA-UHFFFAOYSA-N
MW178.64 g/mol
LogP0.77
Rot. Bonds1

About thiophene-3-carbohydrazide;hydrochloride

thiophene-3-carbohydrazide;hydrochloride (PubChem CID 45050986) has the molecular formula C5H7ClN2OS and a molecular weight of 178.64 g/mol. Its IUPAC name is thiophene-3-carbohydrazide;hydrochloride.

Molecular Properties

Compound Namethiophene-3-carbohydrazide;hydrochloride
PubChem CID45050986
Molecular FormulaC5H7ClN2OS
Molecular Weight178.64 g/mol
Exact Mass178.00
IUPAC Namethiophene-3-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccsc1
InChIInChI=1S/C5H6N2OS.ClH/c6-7-5(8)4-1-2-9-3-4;/h1-3H,6H2,(H,7,8);1H
InChIKeyGDLYOYJFNGWUPA-UHFFFAOYSA-N
XLogP0.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 thiophene-3-carbohydrazide;hydrochloride?
The IUPAC name of thiophene-3-carbohydrazide;hydrochloride (CID 45050986) is thiophene-3-carbohydrazide;hydrochloride.
What is the SMILES notation for thiophene-3-carbohydrazide;hydrochloride?
The canonical SMILES for thiophene-3-carbohydrazide;hydrochloride is Cl.NNC(=O)c1ccsc1.
What is the InChIKey of thiophene-3-carbohydrazide;hydrochloride?
The InChIKey is GDLYOYJFNGWUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS.ClH/c6-7-5(8)4-1-2-9-3-4;/h1-3H,6H2,(H,7,8);1H.
What are the key properties of thiophene-3-carbohydrazide;hydrochloride?
thiophene-3-carbohydrazide;hydrochloride has a molecular weight of 178.64 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-3-carbohydrazide;hydrochloride is sourced from PubChem (CID 45050986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).