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

C10H7BrN2O2S2 — CID 732555

IUPAC5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1cccs1
InChIInChI=1S/C10H7BrN2O2S2/c11-8-4-3-7(17-8)10(15)13-12-9(14)6-2-1-5-16-6/h1-5H,(H,12,14)(H,13,15)
InChIKeyXVPVQUGDFAWLKO-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.65
Rot. Bonds2

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

5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide (PubChem CID 732555) has the molecular formula C10H7BrN2O2S2 and a molecular weight of 331.22 g/mol. Its IUPAC name is 5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
PubChem CID732555
Molecular FormulaC10H7BrN2O2S2
Molecular Weight331.22 g/mol
Exact Mass329.91
IUPAC Name5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1cccs1
InChIInChI=1S/C10H7BrN2O2S2/c11-8-4-3-7(17-8)10(15)13-12-9(14)6-2-1-5-16-6/h1-5H,(H,12,14)(H,13,15)
InChIKeyXVPVQUGDFAWLKO-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 52.65
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)thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide (CID 732555) is 5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide is O=C(NNC(=O)c1ccc(Br)s1)c1cccs1.
What is the InChIKey of 5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide?
The InChIKey is XVPVQUGDFAWLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2S2/c11-8-4-3-7(17-8)10(15)13-12-9(14)6-2-1-5-16-6/h1-5H,(H,12,14)(H,13,15).
What are the key properties of 5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide?
5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide has a molecular weight of 331.22 g/mol, XLogP of 2.65, 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)thiophene-2-carbohydrazide is sourced from PubChem (CID 732555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).