5-bromo-N'-butanoylthiophene-2-carbohydrazide

C9H11BrN2O2S — CID 25226343

IUPAC5-bromo-N'-butanoylthiophene-2-carbohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrN2O2S/c1-2-3-8(13)11-12-9(14)6-4-5-7(10)15-6/h4-5H,2-3H2,1H3,(H,11,13)(H,12,14)
InChIKeyDLBFOUREMWCQOB-UHFFFAOYSA-N
MW291.17 g/mol
LogP2.07
Rot. Bonds3

About 5-bromo-N'-butanoylthiophene-2-carbohydrazide

5-bromo-N'-butanoylthiophene-2-carbohydrazide (PubChem CID 25226343) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 5-bromo-N'-butanoylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-butanoylthiophene-2-carbohydrazide
PubChem CID25226343
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name5-bromo-N'-butanoylthiophene-2-carbohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrN2O2S/c1-2-3-8(13)11-12-9(14)6-4-5-7(10)15-6/h4-5H,2-3H2,1H3,(H,11,13)(H,12,14)
InChIKeyDLBFOUREMWCQOB-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 843260
CID 843260
CID 2225205
CID 2225205
CID 73098
CID 73098
CID 2438343
CID 2438343
CID 142329690
CID 142329690
CID 605722
CID 605722
CID 1224897
CID 1224897
CID 4962509
CID 4962509
CID 2063863
CID 2063863
CID 2760085
CID 2760085
CID 2758912
CID 2758912
CID 1384009
CID 1384009

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-butanoylthiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-butanoylthiophene-2-carbohydrazide (CID 25226343) is 5-bromo-N'-butanoylthiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-butanoylthiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-butanoylthiophene-2-carbohydrazide is CCCC(=O)NNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N'-butanoylthiophene-2-carbohydrazide?
The InChIKey is DLBFOUREMWCQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c1-2-3-8(13)11-12-9(14)6-4-5-7(10)15-6/h4-5H,2-3H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 5-bromo-N'-butanoylthiophene-2-carbohydrazide?
5-bromo-N'-butanoylthiophene-2-carbohydrazide has a molecular weight of 291.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-butanoylthiophene-2-carbohydrazide is sourced from PubChem (CID 25226343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).