N-butylthiophene-2-carbohydrazide

C9H14N2OS — CID 54350563

IUPACN-butylthiophene-2-carbohydrazide
SMILESCCCCN(N)C(=O)c1cccs1
InChIInChI=1S/C9H14N2OS/c1-2-3-6-11(10)9(12)8-5-4-7-13-8/h4-5,7H,2-3,6,10H2,1H3
InChIKeyUFKUJQJYSSAHQN-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.86
Rot. Bonds4

About N-butylthiophene-2-carbohydrazide

N-butylthiophene-2-carbohydrazide (PubChem CID 54350563) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-butylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN-butylthiophene-2-carbohydrazide
PubChem CID54350563
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-butylthiophene-2-carbohydrazide
SMILESCCCCN(N)C(=O)c1cccs1
InChIInChI=1S/C9H14N2OS/c1-2-3-6-11(10)9(12)8-5-4-7-13-8/h4-5,7H,2-3,6,10H2,1H3
InChIKeyUFKUJQJYSSAHQN-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
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

N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
CID 82103657
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977
N,N-diethylthiophene-2-carboxamide
CID 962897
3-(dibutylamino)propyl thiophene-2-carboxylate;hydrochloride
CID 3032008
CID 69259223
CID 69259223
2-methyl-3-[pentyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324480
hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704818
decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704823

Frequently Asked Questions

What is the IUPAC name of N-butylthiophene-2-carbohydrazide?
The IUPAC name of N-butylthiophene-2-carbohydrazide (CID 54350563) is N-butylthiophene-2-carbohydrazide.
What is the SMILES notation for N-butylthiophene-2-carbohydrazide?
The canonical SMILES for N-butylthiophene-2-carbohydrazide is CCCCN(N)C(=O)c1cccs1.
What is the InChIKey of N-butylthiophene-2-carbohydrazide?
The InChIKey is UFKUJQJYSSAHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-3-6-11(10)9(12)8-5-4-7-13-8/h4-5,7H,2-3,6,10H2,1H3.
What are the key properties of N-butylthiophene-2-carbohydrazide?
N-butylthiophene-2-carbohydrazide has a molecular weight of 198.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylthiophene-2-carbohydrazide is sourced from PubChem (CID 54350563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).