N'-(3-methylbutanoyl)thiophene-3-carbohydrazide

C10H14N2O2S — CID 24677473

IUPACN'-(3-methylbutanoyl)thiophene-3-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccsc1
InChIInChI=1S/C10H14N2O2S/c1-7(2)5-9(13)11-12-10(14)8-3-4-15-6-8/h3-4,6-7H,5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyIOWUMZAEKGIYEE-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.56
Rot. Bonds3

About N'-(3-methylbutanoyl)thiophene-3-carbohydrazide

N'-(3-methylbutanoyl)thiophene-3-carbohydrazide (PubChem CID 24677473) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N'-(3-methylbutanoyl)thiophene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methylbutanoyl)thiophene-3-carbohydrazide
PubChem CID24677473
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN'-(3-methylbutanoyl)thiophene-3-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccsc1
InChIInChI=1S/C10H14N2O2S/c1-7(2)5-9(13)11-12-10(14)8-3-4-15-6-8/h3-4,6-7H,5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyIOWUMZAEKGIYEE-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutanoyl)thiophene-3-carbohydrazide?
The IUPAC name of N'-(3-methylbutanoyl)thiophene-3-carbohydrazide (CID 24677473) is N'-(3-methylbutanoyl)thiophene-3-carbohydrazide.
What is the SMILES notation for N'-(3-methylbutanoyl)thiophene-3-carbohydrazide?
The canonical SMILES for N'-(3-methylbutanoyl)thiophene-3-carbohydrazide is CC(C)CC(=O)NNC(=O)c1ccsc1.
What is the InChIKey of N'-(3-methylbutanoyl)thiophene-3-carbohydrazide?
The InChIKey is IOWUMZAEKGIYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(2)5-9(13)11-12-10(14)8-3-4-15-6-8/h3-4,6-7H,5H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N'-(3-methylbutanoyl)thiophene-3-carbohydrazide?
N'-(3-methylbutanoyl)thiophene-3-carbohydrazide has a molecular weight of 226.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutanoyl)thiophene-3-carbohydrazide is sourced from PubChem (CID 24677473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).