4,5-dibromothiophene-2-carbohydrazide

C5H4Br2N2OS — CID 1224897

IUPAC4,5-dibromothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10)
InChIKeyXYZOOBRFZARVRB-UHFFFAOYSA-N
MW299.98 g/mol
LogP1.88
Rot. Bonds1

About 4,5-dibromothiophene-2-carbohydrazide

4,5-dibromothiophene-2-carbohydrazide (PubChem CID 1224897) has the molecular formula C5H4Br2N2OS and a molecular weight of 299.98 g/mol. Its IUPAC name is 4,5-dibromothiophene-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dibromothiophene-2-carbohydrazide
PubChem CID1224897
Molecular FormulaC5H4Br2N2OS
Molecular Weight299.98 g/mol
Exact Mass297.84
IUPAC Name4,5-dibromothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10)
InChIKeyXYZOOBRFZARVRB-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.98
LogP ≤ 51.88
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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Related Compounds

4-Bromothiophene-2-carbohydrazide
CID 843260
Thiophene-2-carbohydrazide
CID 73098
4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 2438343
5-Bromothiophene-2-carbohydrazide
CID 2063863
5-Bromothiophene-2-carboxamide
CID 605722
3-Bromothiophene-2-carboxamide
CID 605721
4-Bromo-2-thiophenecarboxamide
CID 12836067
3,5-Dibromothiophene-2-carboxamide
CID 85536412
5-Bromo-3-fluorothiophene-2-carboxamide
CID 121229185
5-Bromo-4-fluorothiophene-2-carboxamide
CID 121232054
4-Bromo-5-methylthiophene-2-carbohydrazide
CID 12969333
4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 24641245

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromothiophene-2-carbohydrazide?
The IUPAC name of 4,5-dibromothiophene-2-carbohydrazide (CID 1224897) is 4,5-dibromothiophene-2-carbohydrazide.
What is the SMILES notation for 4,5-dibromothiophene-2-carbohydrazide?
The canonical SMILES for 4,5-dibromothiophene-2-carbohydrazide is NNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromothiophene-2-carbohydrazide?
The InChIKey is XYZOOBRFZARVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10).
What are the key properties of 4,5-dibromothiophene-2-carbohydrazide?
4,5-dibromothiophene-2-carbohydrazide has a molecular weight of 299.98 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromothiophene-2-carbohydrazide is sourced from PubChem (CID 1224897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).