4-bromothiophene-2-carbohydrazide

C5H5BrN2OS — CID 843260

IUPAC4-bromothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc(Br)cs1
InChIInChI=1S/C5H5BrN2OS/c6-3-1-4(10-2-3)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyQOKOFTFJCNWYPN-UHFFFAOYSA-N
MW221.08 g/mol
LogP1.11
Rot. Bonds1

About 4-bromothiophene-2-carbohydrazide

4-bromothiophene-2-carbohydrazide (PubChem CID 843260) has the molecular formula C5H5BrN2OS and a molecular weight of 221.08 g/mol. Its IUPAC name is 4-bromothiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-bromothiophene-2-carbohydrazide
PubChem CID843260
Molecular FormulaC5H5BrN2OS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC Name4-bromothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc(Br)cs1
InChIInChI=1S/C5H5BrN2OS/c6-3-1-4(10-2-3)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyQOKOFTFJCNWYPN-UHFFFAOYSA-N
XLogP1.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 51.11
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'}

Analyze 4-bromothiophene-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 4-bromothiophene-2-carbohydrazide?
The IUPAC name of 4-bromothiophene-2-carbohydrazide (CID 843260) is 4-bromothiophene-2-carbohydrazide.
What is the SMILES notation for 4-bromothiophene-2-carbohydrazide?
The canonical SMILES for 4-bromothiophene-2-carbohydrazide is NNC(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromothiophene-2-carbohydrazide?
The InChIKey is QOKOFTFJCNWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2OS/c6-3-1-4(10-2-3)5(9)8-7/h1-2H,7H2,(H,8,9).
What are the key properties of 4-bromothiophene-2-carbohydrazide?
4-bromothiophene-2-carbohydrazide has a molecular weight of 221.08 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothiophene-2-carbohydrazide is sourced from PubChem (CID 843260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).