N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide

C10H14N2O2S — CID 960967

IUPACN'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C10H14N2O2S/c1-10(2,3)9(14)12-11-8(13)7-5-4-6-15-7/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeyIZIRVXWEXVGHEC-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.56
Rot. Bonds1

About N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide

N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide (PubChem CID 960967) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide
PubChem CID960967
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C10H14N2O2S/c1-10(2,3)9(14)12-11-8(13)7-5-4-6-15-7/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeyIZIRVXWEXVGHEC-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide (CID 960967) is N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide is CC(C)(C)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide?
The InChIKey is IZIRVXWEXVGHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-10(2,3)9(14)12-11-8(13)7-5-4-6-15-7/h4-6H,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide?
N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide has a molecular weight of 226.30 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 960967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).