N'-acetyl-3-bromothiophene-2-carbohydrazide

C7H7BrN2O2S — CID 47355220

IUPACN'-acetyl-3-bromothiophene-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1sccc1Br
InChIInChI=1S/C7H7BrN2O2S/c1-4(11)9-10-7(12)6-5(8)2-3-13-6/h2-3H,1H3,(H,9,11)(H,10,12)
InChIKeyBFTCHSHQSXTKBT-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.29
Rot. Bonds1

About N'-acetyl-3-bromothiophene-2-carbohydrazide

N'-acetyl-3-bromothiophene-2-carbohydrazide (PubChem CID 47355220) has the molecular formula C7H7BrN2O2S and a molecular weight of 263.12 g/mol. Its IUPAC name is N'-acetyl-3-bromothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-3-bromothiophene-2-carbohydrazide
PubChem CID47355220
Molecular FormulaC7H7BrN2O2S
Molecular Weight263.12 g/mol
Exact Mass261.94
IUPAC NameN'-acetyl-3-bromothiophene-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1sccc1Br
InChIInChI=1S/C7H7BrN2O2S/c1-4(11)9-10-7(12)6-5(8)2-3-13-6/h2-3H,1H3,(H,9,11)(H,10,12)
InChIKeyBFTCHSHQSXTKBT-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.29
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

3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]thiophene-2-carboxamide
CID 107867481
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 77007128
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
3-bromothiophene-2-carbonyl chloride
CID 2797569
3-bromo-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 77007126
3-bromo-N-[(1-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 103753311
3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47234202
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-3-bromothiophene-2-carbohydrazide?
The IUPAC name of N'-acetyl-3-bromothiophene-2-carbohydrazide (CID 47355220) is N'-acetyl-3-bromothiophene-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-3-bromothiophene-2-carbohydrazide?
The canonical SMILES for N'-acetyl-3-bromothiophene-2-carbohydrazide is CC(=O)NNC(=O)c1sccc1Br.
What is the InChIKey of N'-acetyl-3-bromothiophene-2-carbohydrazide?
The InChIKey is BFTCHSHQSXTKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2S/c1-4(11)9-10-7(12)6-5(8)2-3-13-6/h2-3H,1H3,(H,9,11)(H,10,12).
What are the key properties of N'-acetyl-3-bromothiophene-2-carbohydrazide?
N'-acetyl-3-bromothiophene-2-carbohydrazide has a molecular weight of 263.12 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3-bromothiophene-2-carbohydrazide is sourced from PubChem (CID 47355220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).