5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide

C10H7BrN2O3S — CID 729919

IUPAC5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(Br)o1
InChIInChI=1S/C10H7BrN2O3S/c11-8-4-3-6(16-8)9(14)12-13-10(15)7-2-1-5-17-7/h1-5H,(H,12,14)(H,13,15)
InChIKeySUJPOGCFLVSXOZ-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.18
Rot. Bonds2

About 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide

5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide (PubChem CID 729919) has the molecular formula C10H7BrN2O3S and a molecular weight of 315.15 g/mol. Its IUPAC name is 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
PubChem CID729919
Molecular FormulaC10H7BrN2O3S
Molecular Weight315.15 g/mol
Exact Mass313.94
IUPAC Name5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(Br)o1
InChIInChI=1S/C10H7BrN2O3S/c11-8-4-3-6(16-8)9(14)12-13-10(15)7-2-1-5-17-7/h1-5H,(H,12,14)(H,13,15)
InChIKeySUJPOGCFLVSXOZ-UHFFFAOYSA-N
XLogP2.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide (CID 729919) is 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide is O=C(NNC(=O)c1cccs1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
The InChIKey is SUJPOGCFLVSXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3S/c11-8-4-3-6(16-8)9(14)12-13-10(15)7-2-1-5-17-7/h1-5H,(H,12,14)(H,13,15).
What are the key properties of 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide has a molecular weight of 315.15 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide is sourced from PubChem (CID 729919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).