N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate

C10H16N2O3S — CID 139072563

IUPACN'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
SMILESCC(C)CC(=O)NNC(=O)c1cccs1.O
InChIInChI=1S/C10H14N2O2S.H2O/c1-7(2)6-9(13)11-12-10(14)8-4-3-5-15-8;/h3-5,7H,6H2,1-2H3,(H,11,13)(H,12,14);1H2
InChIKeyFERCEUMZRDPJJF-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.73
Rot. Bonds3

About N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate

N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate (PubChem CID 139072563) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate.

Molecular Properties

Compound NameN'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
PubChem CID139072563
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
SMILESCC(C)CC(=O)NNC(=O)c1cccs1.O
InChIInChI=1S/C10H14N2O2S.H2O/c1-7(2)6-9(13)11-12-10(14)8-4-3-5-15-8;/h3-5,7H,6H2,1-2H3,(H,11,13)(H,12,14);1H2
InChIKeyFERCEUMZRDPJJF-UHFFFAOYSA-N
XLogP0.73
TPSA89.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.73
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

N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
CID 94259803
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293
methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
CID 62026843
3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
CID 62826028
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 66137028
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
CID 62016772
2-[1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]azetidin-3-yl]propanoic acid
CID 116683976
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
CID 115317749

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate?
The IUPAC name of N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate (CID 139072563) is N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate.
What is the SMILES notation for N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate?
The canonical SMILES for N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate is CC(C)CC(=O)NNC(=O)c1cccs1.O.
What is the InChIKey of N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate?
The InChIKey is FERCEUMZRDPJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S.H2O/c1-7(2)6-9(13)11-12-10(14)8-4-3-5-15-8;/h3-5,7H,6H2,1-2H3,(H,11,13)(H,12,14);1H2.
What are the key properties of N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate?
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate has a molecular weight of 244.32 g/mol, XLogP of 0.73, 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-2-carbohydrazide;hydrate is sourced from PubChem (CID 139072563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).