N'-(6-bromohexanoyl)thiophene-2-carbohydrazide

C11H15BrN2O2S — CID 25226344

IUPACN'-(6-bromohexanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCCCCBr)NNC(=O)c1cccs1
InChIInChI=1S/C11H15BrN2O2S/c12-7-3-1-2-6-10(15)13-14-11(16)9-5-4-8-17-9/h4-5,8H,1-3,6-7H2,(H,13,15)(H,14,16)
InChIKeyRSHPRNFDBOFKLP-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.46
Rot. Bonds6

About N'-(6-bromohexanoyl)thiophene-2-carbohydrazide

N'-(6-bromohexanoyl)thiophene-2-carbohydrazide (PubChem CID 25226344) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N'-(6-bromohexanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(6-bromohexanoyl)thiophene-2-carbohydrazide
PubChem CID25226344
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN'-(6-bromohexanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCCCCBr)NNC(=O)c1cccs1
InChIInChI=1S/C11H15BrN2O2S/c12-7-3-1-2-6-10(15)13-14-11(16)9-5-4-8-17-9/h4-5,8H,1-3,6-7H2,(H,13,15)(H,14,16)
InChIKeyRSHPRNFDBOFKLP-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(6-bromohexanoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(6-bromohexanoyl)thiophene-2-carbohydrazide (CID 25226344) is N'-(6-bromohexanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(6-bromohexanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(6-bromohexanoyl)thiophene-2-carbohydrazide is O=C(CCCCCBr)NNC(=O)c1cccs1.
What is the InChIKey of N'-(6-bromohexanoyl)thiophene-2-carbohydrazide?
The InChIKey is RSHPRNFDBOFKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-7-3-1-2-6-10(15)13-14-11(16)9-5-4-8-17-9/h4-5,8H,1-3,6-7H2,(H,13,15)(H,14,16).
What are the key properties of N'-(6-bromohexanoyl)thiophene-2-carbohydrazide?
N'-(6-bromohexanoyl)thiophene-2-carbohydrazide has a molecular weight of 319.22 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromohexanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 25226344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).