5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide

C9H9BrN2O2S — CID 26662526

IUPAC5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1ccc(Br)s1
InChIInChI=1S/C9H9BrN2O2S/c10-7-4-3-6(15-7)9(14)12-11-8(13)5-1-2-5/h3-5H,1-2H2,(H,11,13)(H,12,14)
InChIKeyDCGAKAMZLPCEDW-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.68
Rot. Bonds2

About 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide

5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide (PubChem CID 26662526) has the molecular formula C9H9BrN2O2S and a molecular weight of 289.15 g/mol. Its IUPAC name is 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
PubChem CID26662526
Molecular FormulaC9H9BrN2O2S
Molecular Weight289.15 g/mol
Exact Mass287.96
IUPAC Name5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1ccc(Br)s1
InChIInChI=1S/C9H9BrN2O2S/c10-7-4-3-6(15-7)9(14)12-11-8(13)5-1-2-5/h3-5H,1-2H2,(H,11,13)(H,12,14)
InChIKeyDCGAKAMZLPCEDW-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N'-(cyclopropanecarbonyl)thiophene-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

Related Compounds

5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
N'-(5-bromothiophene-2-carbonyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carbohydrazide
CID 55719585
N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738685
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide
CID 26784732
5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide
CID 9154758
N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
5-bromo-N-cyclopentyloxythiophene-2-carboxamide
CID 83202790
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62036555

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide (CID 26662526) is 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide is O=C(NNC(=O)C1CC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide?
The InChIKey is DCGAKAMZLPCEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2S/c10-7-4-3-6(15-7)9(14)12-11-8(13)5-1-2-5/h3-5H,1-2H2,(H,11,13)(H,12,14).
What are the key properties of 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide?
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide has a molecular weight of 289.15 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 26662526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).